APS March Meeting 2017

Focus Topic Descriptions, 5.1.1 to 12.1.11

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5: CHEMICAL PHYSICS (DCP)

5.1.1: Advances in Molecular Dynamics Simulation: From Atomistic to Coarse-grained Models

This symposium will bring together leading researchers in the area of molecular dynamics (MD) simulation to highlight and assess the current state-of-the-art, as well as the chart out the outlook for its future. MD has made enormous strides forward since the seminal paper of A. Rahman published in Phys. Rev. 136, 405 (1964), describing the first MD simulation of a liquid (argon) for a continuous potential energy function. Indeed, nearly fifty years later the 2013 Nobel Prize in Chemistry was awarded to Karplus, Levitt, and Warshel, primarily for the application of MD to complex molecular systems such as proteins. In just the past 10-15 years, however, great advances have been made in free energy sampling algorithms, long time dynamics, computer speed and MD code scalability, ab initio MD, accurate forcefields, and coarse-graining methods in space and time. Never before has the field of MD simulation been more fertile with new methods, codes, computers, and results. This symposium will broadly cover these numerous advances while highlighting their many applications to realistic and highly complex problems of importance to the experimental community.

Co-organizers: Gregory A. Voth (University of Chicago), Joan-Emma Shea (UC Santa Barbara), Angel Garcia (Los Alamos National Laboratory)

5.1.2: Spectroscopy and Dynamics of Multi-chromophore Systems

Photoinduced dynamics that occur on femtosecond timescales in multichromophonic systems are interesting and challenging because they are dictated by a balance of free quantum-mechanical evolution and thermal dissipation within a manifold of excited states. Electronic coupling promotes spatial delocalization of excitation but dephasing and disorder compete. Most recently the important role of non-perturbative coupling to molecular vibrations has been recognized. This focus session will explore fundamental advances in theory and experiment and examine their impact in biological light harvesting and energy science.

Co-organizers: Greg Scholes (Princeton University), Tim Berkelbach

5.1.3: Chemical physics at the edges: Probing materials at the limits of space, time, and resolution

The science we probe is limited by the tools we possess, but by the same token, the sharpening of tools is tantamount to opening new vistas in science. This series of session focuses on the sharpest edge of the tools available to chemical physics: a) Submolecular spatial resolution, made possible through novel methods in scan-probe microscopy, whereby chemical bonds within molecules can be seen and manipulated individually. b) The attosecond frontier in time resolution has now matured to the point of implementation in chemical physics, to clock the motion of valence and core electrons in molecules. The field is vast, yet it is possible to hold a session of vignettes on the edge of the doable in time. c) One of the more exciting frontiers is the combination of the space and time, ultrafast and ultrasmall, to visualize dynamical processes on chemical scales of relevance. This joint front includes spectrally and temporally resolved nanoscopy. Several new methods are coming online in this field, e.g., photo-induced force microscopy, and there already are excellent examples of novel science discovered with these tools.

Co-organizers: Ara Apkarian (UC-Irvine,), Eric Potma (UC-Irvine)

5.1.4: Frontiers at interfaces: Probing the mechanisms of surface reactions and interfacial carrier dynamics

This series of focus sessions will consider the molecular mechanisms of surface reactions and charge carrier dynamics at interfaces. Examples of topics include molecular interactions with liquid and solid surfaces, dynamics of heterogeneous catalysts, ultrfafast carrier dynamics at surfaces, interfacial charge transfer, mechanisms of photo and electrochemistry, solvation at interfaces, and dynamics of aqueous interfaces. This symposium will bring together researchers from a variety of discplines including physical chemistry, materials science, nanotechnology, and catalysis science.

Co-organizers: Robert Baker (Ohio State University), Xiaoyang Zhu (Columbia University)

5.1.5: Chemical Physics of Hydrogen-bonded Networks and Water: Structure and Dynamics

This series of focus sessions will bring together leading experimentalist and theoretical chemists which are investigating solvation processes in a bottom up- approach. As recently G. Whitesides pointed out, “understanding the role of water in the myriad of processes – from catalysis to molecular recognition - that make up metabolism in the cell “– is one of the main challenges of the next century for chemistry [1]. Nowadays, the most recent advances in laser spectroscopy, ranging from THz to IR, EPR, NMR and theory allow probing, describing, and influencing the structure, dynamics, and kinetics of complex solvation phenomena at the molecular level. This experimental techniques probe the hydrogen bond. On the theory side we have witnessed an increase in manageable complexity, allowing an accurate description of solvent solute interaction beyond the cluster level. Therefore, a molecular-level based, bottom-up description of solvation that is able to predict the properties of new solvent systems has come within reach. Following a strict bottom-up approach the topics in the symposium will span the range from microsolvated clusters up to the interaction of water with proteins.

[1] Whitesides, G. M. Reinventing Chemistry. Angew. Chem. Int. Ed. 54, 3196-3209 (2015).

Co-organizers: Martina Havenith (Ruhr University), Teresa Head-Gordon (UC-Berkeley)

5.1.6: First-Principles Modeling of Excited-State Phenomena in Materials (DCOMP/DCP/DMP) [same as 14.1.2 and 16.1.6]

This Focus Topic is dedicated to recent advances in many-body perturbation theory and electron-ion dynamics methods: Challenges, scalable implementations in electronic structure codes, and applications to functional materials, interfaces, molecules, and nano-structures are of interest. It aims to attract researchers working on the nexus of electronic and optical properties of materials, hot electron dynamics, and device physics (e.g., transistors, light emitting diodes, solar cells, and photo-electrochemical cells). A proper description of electronic excitations requires theoretical approaches that go beyond ground state density functional theory (DFT), such as Green's function based many-body perturbation theory methods (e.g., RPA, GW, and BSE), or Ehrenfest dynamics and surface-hopping schemes (e.g., based on time-dependent DFT).

Phenomena, processes, and properties of interest include ionization potentials and electron affinities, optical spectra and exciton binding energies, electron-phonon coupling, charge transition levels, and energy level alignment at interfaces, transition between excited states, energy transfer to the lattice, etc.

Co-organizers: David Singh (University of Missouri), Matthieu Verstraete (University of Liège)

5.1.7: Novel Chemistry under Extreme Conditions (DCOMP/DCP/GSCCM(SHOCK)) [same as 16.1.2]

High-pressure often leads to unusual states of matter, expressed as novel structures, unexpected metal-insulator transitions, superconductivity etc. Recently, a series of computational and experimental studies show that materials can undergo changes at a fundamental level and form unusual chemical compounds. For example, electrons may detach from all nuclei and occupy interstitial sites, forming electrides; also what might have been thought as core levels or unfilled orbitals might be involved in forming covalent and ionic bonds under pressure. Characteristic of progress in this area is the close interaction of theory and experiment. Although some compounds predicted with unusual stoichiometry have recently been attained by static high-pressure experiments, many novel compounds are still awaiting experimental discovery.

The Focus Topic will open the opportunity to concurrently present and discuss the recent new chemistry and physics emerging under high pressure. It will include but not be limited to the following topics: (1) synthesis and prediction of novel compounds with atypical or unusual compositions under pressure; (2) the observation and prediction of high pressure electrides and the mechanism of their formation; (3) the role of inner shell and outer shell orbitals and electrons in high pressure chemistry; (4) the reactivity of noble gas elements under pressure; (5) emerging physics in new compounds such as the topological insulating state and superconductivity.

b) The attosecond frontier in time resolution has now matured to the point of implementation in chemical physics, to clock the motion of valence and core electrons in molecules. The field is vast, yet it is possible to hold a session of vignettes on the edge of the doable in time. c) One of the more exciting frontiers is the combination of the space and time, ultrafast and ultrasmall, to visualize dynamical processes on chemical scales of relevance. This joint front includes spectrally and temporally resolved nanoscopy. Several new methods are coming online in this field, e.g., photo-induced force microscopy, and there already are excellent examples of novel science discovered with these tools.

Co-organizers: Maosheng Miao (California State University-Northridge), Russell Hemley (Carnegie Institute of Washington)

5.1.8: Computational Physics at the Petascale and Beyond (DCOMP/DMP/DCMP/DCP/DBIO) [same as 4.1.26, 16.1.4]

On July 29, 2015, the President signed an Executive Order creating the National Strategic Computing Initiative (NSCI) with a goal of enabling high performance computing (HPC) capable of performing 1018 floating-point operations per second (“exascale”), as well as integrating large-scale data opportunities associated with experiment, observation, and simulation science. This focus session will bring together researchers in computational materials, computational chemistry, and computational biophysics with experience in the effective utilization of high-performance data and compute infrastructure, including supercomputers, communication networks, and data resources to achieve breakthrough results. We intend for this session to highlight strong examples of the state-of-the-art in computational science today leveraging large, national-scale infrastructure. The talks will highlight science results as well as opportunities and challenges in using energy-efficient, pre-exascale HPC systems.

Organizers: Robert Baker (Ohio State University), Xiaoyang Zhu (Columbia University)

6: ATOMIC, MOLECULAR AND OPTICAL (AMO) PHYSICS (DAMOP)

6.1.1: Disorder and Localization in AMO Systems

Atomic, molecular, and optical systems are providing new settings to explore localization - both in disordered settings with analogs to solid state systems, as well as in novel geometries such as quasiperiodic lattices. The control and isolation of AMO systems make them particularly appealing for exploring concepts surrounding ""many-body localization,"" in which there is an interplay between disorder and interactions. AMO systems are contributing to our fundamental understanding, and providing settings for developing applications such as quantum memories.[1] Whitesides, G. M. Reinventing Chemistry. Angew. Chem. Int. Ed. 54, 3196-3209 (2015).

Organizer: Erich Mueller (Cornell University)

6.1.2: Topological states in AMO systems

Topological quantum phases of electrons such as quantum Hall states, topological insulators and topological semimetals have been major topics in condensed matter physics with important implications for metrology, low-dissipation electronics, quantum computing and other device applications. Developing analogues of such topological phases in atomic/molecular and optical/photonic systems have attracted strong recent interests. Building on toolsets ranging from synthetic gauge fields and spin-orbit coupling to nanophotonics and metamaterials, the studies of atomic and photonic topological matter and states bring many exciting opportunities to engineer novel light-matter interaction and topological states, and realize new functionalities for applications in quantum information/simulation and photonics.

Organizer: Yong Chen (Purdue University)

6.1.3: Hybrid/macroscopic quantum systems, Optomechanics, and interfacing AMO with solid state/nano systems

By combining mechanical, optical, and atomic elements, one creates systems with novel properties which can be used for answering fundamental questions and developing new technology. New ideas continue to emerge about coupling systems in ways which make the most of their characteristics (such as the long coherence times of photons, or the large coupling matrix elements in mechanical systems). These hybrid systems are becoming useful for metrology, and continue to erode the dividing line between the microscopic and the macroscopic. Interfacing AMO systems with solid state/materials/nano systems open possibilities to realize novel states of matter or new types of experimental probes in both systems.

Organizer: Benjamin Lev (Stanford University)

6.1.4: Non-Equilibrium Physics with Cold Atoms

Cold atoms systems provide a unique new environment for studying out-of-equilibrium physics of many strongly interacting particles. The possibility to control system parameters on timescales faster than the typical dynamics make it possible to induce quantum quenches, and this is complemented by the possibility to measure a wide range of correlation functions and even entanglement as these develop in time. At the same time, it is possible to engineer and control dissipation for cold atoms in a variety of forms. These tools open opportunities to address fundamental questions that are relevant to many sub-fields of physics: How does a system respond to a sudden change in the Hamiltonian? How does a strongly interacting system relax – under which conditions and on which timescale will it reach thermal equilibrium? It also provides opportunities to use non-equilibrium dynamics as a tool to realize interesting quantum states – this includes engineering Hamiltonians by periodic driving, exploring how continuous measurement can feed back onto many-body quantum states, and the production of new cooling schemes.

Organizer: Dominik Schneble (Stonybrook University)

6.1.5: Advances and Applications of Numerical Methods in Cold Quantum Gases (DAMOP/DCOMP) [Same as 16.1.11]

Developments in experiments with cold quantum gases have been complemented by rapid expansion and new applications of numerical methods for both equilibrium states and time-dependent dynamics in these strongly interacting systems. This includes advances in Monte-Carlo methods for equilibrium and non-equilibrium physics, the development of density matrix renomalization group and tensor network techniques in 1D and 2D, new applications and developments with dynamical mean-field theory, and a variety of new applications of phase-space and mean-field methods for dynamics. These advances have especially begun to give new insights into strongly interacting Fermi gases and systems with long-range interactions, as well as both coherent and dissipative out-of-equilibrium dynamics in a broad range of contexts.

Organizer: Vito Scarola (Virginia Tech)

6.1.6: Explicitly correlated methods and quantum few-body systems (DCOMP/DAMOP) [Same as 16.1.8]

Computational methods tackling the difficult problem of describing correlated motion of interacting quantum particles by employing explicitly correlated wavefunctions have had a tremendous success in the last two decades. Explicitly correlated approaches have a wide range of applications in physics and chemistry and provide a very powerful tool to solve quantum few-body problem with various types of interparticle interaction. There is a significant interest in expanding the applicability of such methods to new areas and problems. The purpose of this focus session is to survey recent research activity in the field and provide a much needed forum for physicists and chemists, share experience, and discuss many theoretical and computational issues.

Contributions spanning relevant theoretical developments and applications of the explicitly correlated methods will be solicited in the following areas:

  • Atomic and molecular physics
  • Ultracold systems, Efimov states, universal few-body physics
  • Quantum chemistry (including R12/F12 methods)
  • Few-body systems in condensed matter (quantum dots, biexitons, etc)
  • Systems containing positrons and other exotic particles
  • Scattering problems

Organizers: Sergiy Bubin (Nazarbayev University), Kalman Varga (Vanderbilt University)

6.1.7: Advances in quantum simulation (GQI/DAMOP/DCOMP) [same as 16.1.9 and 17.1.4]

The simulation of complex quantum systems is known to be tremendously difficult for classical computers. Degrees of freedom involved in quantum dynamics increase exponentially with the size of the system, saturating classical capabilities even for modest size. However, the behavior of a complex quantum system can be efficiently emulated in an analog or a digital manner with the use of artificial quantum platforms that allow control over the simulation parameters. Such experimental platforms have recently emerged in fields such as superconducting qubits, cold atoms or ion traps. Quantum simulation promises to have applications in the study of many problems ranging from condensed-matter, quantum chemistry to high-energy physics. The purpose of this focus session is to review recent advances in quantum simulation both theoretically and experimentally across various platforms.

Organizers: Phil Richerme (Indiana University), Emmanuel Flurin (University of California, Berkeley)

7: INSULATORS AND DIELECTRICS (DCMP)

7.1.1: Dielectric and Ferroic oxides (DMP/DCOMP) [same as 11.1.1, 6.1.13]

Complex oxides exhibit a rich variety of order parameters, such as polarization, magnetization, strain, charge and orbital degrees of freedom. The vast range of functional properties that emerge from their mutual coupling (e.g., ferroelectricity, magnetoelectricity, multiferroicity, metal-insulator transitions, defect-related properties) are the main topics of interest for this symposium. Examples of current grand challenges include:

  1. Novel mechanisms to break inversion symmetry in heterostructures and layered oxides.
  2. Viable routes to achieve a strong coupling between polarization and ferromagnetism at room temperature.
  3. Band-filling and bandwidth control in complex oxides (a prerequisite to harnessing charge/orbital order, magnetic transitions and metal insulator transitions).
  4. Electric- or magnetic-field control of these phenomena - a very exciting prospect for both fundamental science and technology. (v) Structure and properties of magnetoelectric domains and domain walls of these materials.
  5. Emerging avenues to controlling polarization, magnetism and electronic properties via strain and/or strain gradients and/or defects. Breakthroughs and progress in the theory, synthesis, characterization, and device implementations in these and other related topics are solicited for this Focus Topic.

Organizers: Guangyong Xu (Brookhaven National Laboratory), Eric Cockayne (National Institute of Standards and Technology), Hiroki Taniguchi (Nagoya University)

7.1.2: Topological Materials: Synthesis, Characterization and Modeling (DMP)

There has been explosive growth in the study of topological materials in which the combined effects of the spin-orbit coupling and fundamental symmetries yield a bulk energy gap with novel gapless surface states robust against scattering. Moreover, the field has expanded in scope to include topological phases in superconductors, semimetals (e.g., Dirac, Weyl and nodal line), crystalline insulators, Kondo systems and complex heterostructures capable of harboring exotic topologically nontrivial states of quantum matter. The observation of theoretical predictions depends greatly on sample quality and there remain significant challenges in identifying and synthesizing the underlying materials having properties amenable to the study of the surface and interface states of interest. This topic will focus on fundamental advances in the synthesis, characterization and modeling of candidate topological materials in various forms including bulk single crystals, exfoliated and epitaxial thin films, epitaxially modulated heterostructures, nanowires and nanoribbons, and theoretical studies that illuminate the synthesis effort and identify new candidate materials. Of equal interest is the characterization of these samples using structural, transport, magnetic, optical and other spectroscopic techniques, and related theoretical efforts aimed at modeling various properties both on the surface/interface and in the bulk.

Organizers: Sean Oh (Rutgers University), Peter Armitage (Johns Hopkins University), Feng Liu (Uinversity of Utah)

7.1.3: Dirac and Weyl semimetals (DMP)

Dirac and Weyl semimetals are low carrier density metals whose low energy excitations can be described by the Dirac or Weyl equation, respectively. Distinct from conventional low carrier density systems, Dirac and Weyl semimetals are expected to possess exotic properties due to their novel electronic structures and nontrivial topologies. A subset of the novel properties predicted include Berry phase contributions to transport properties, protected Fermi arc surface states, suppressed scattering, and non-local transport. While promising candidate materials exist for both Dirac and Weyl semimetals, many phenomena have yet to be clearly resolved.

This focus topic aims to explore Dirac and Weyl semimetals and the novel phenomena associated with them. We solicit contributions on predictions, new materials synthesis and characterization, new phenomena of Dirac and Weyl semimetals, as well as studies on both conventional and unconventional semimetals that provide or clarify alternative explanations for signatures that may be interpreted as a consequence of the novel electronic structure of Dirac and/or Weyl fermions.

Organizers: Ni Ni (University of California, Los Angeles), Fillip Ronning (Los Alamos National Laboratory)

7.1.4: Organometal Halide Perovskites; Photovoltaics and beyond (DMP)

No Description Provided

Organizers: Feliciano Giustino (Oxford University), Oana Jurchescu (Wake Forest Univeristy)

8: SEMICONDUCTORS (FIAP)

8.1.1: Spin-Dependent Phenomena in Semiconductors (GMAG/DMP/FIAP) [same as 10.1.5, 22.1.4]

No Description Provided

8.1.2: Dopants and Defects in Semiconductors (DMP/FIAP) [same as 16.1.14]

Impurities and native defects profoundly affect the electronic and optical properties of semiconductor materials. Incorporation of impurities is nearly always a necessary step for tuning the electrical properties in semiconductors. In some cases, as in dilute III-V alloys, impurities even modify the band gap. Defects control carrier concentration, mobility, lifetime, and recombination; they are also responsible for the mass-transport processes involved in migration, diffusion, and precipitation of impurities and host atoms. The control of impurities and defects is the critical factor that enables a semiconductor to be engineered for use in electronic and optoelectronic devices as has been widely recognized in the remarkable development of Si-based electronics, the current success of GaN-based blue LED and lasers, the development of semiconducting oxides for transparent conducting displays, and the promise of next-generation sensors and computing based on individual defects like the NV center in diamond. The fundamental understanding, characterization and control of defects and impurities are essential for the development of new devices, such as those based on novel wide-band gap semiconductors, spintronic materials, and lowdimensional structures.

The physics of dopants and defects in semiconductors, from the bulk to the nanoscale, including surfaces and interfaces, is the subject of this focus topic. Abstracts on experimental and theoretical investigations are solicited in areas of interest that include: the electronic, structural, optical, and magnetic properties of impurities and defects in elemental and compound semiconductors, SiO2 and alternative dielectrics, wide band-gap materials such as diamond including NV centers, SiC, group-III nitrides, two-dimensional materials including phosphorus and BN, oxide semiconductors, and the emerging organic-inorganic hybrid perovskite (e.g., MAPbI3) solar cell materials are of interest. Likewise welcomed are abstracts on specific materials challenges involving defects, e.g., in processing, characterization, property determination, including imaging and various new nanoscale probes.

Organizers: Paul Koenraad (Eindhoven University of Technology), Joel Varley (Lawrence Livermore National Laboratory)

9: SUPERCONDUCTIVITY (DCMP)

9.1.1: Fe-based Superconductors (DMP/DCOMP) [same as 16.1.15]

Substantial experimental and theoretical progress has been made toward understanding the unusual normal and superconducting-state properties of the iron-based superconductors (IBS). However, many challenges and controversies remain, driven by discoveries of new or improved materials whose properties differ radically from those of the previous generation. Among the current challenges in the IBS: understanding the intricate interplay between spin and orbital degrees of freedom, and their consequences for the elastic, normal, and superconducting-state properties; the role of quantum criticality; the nature of the parent phase, and the role of interactions and electronic structure in defining such a phase; the normal and superconducting-state properties of materials with only hole or electron-pockets, in particular FeSe thin films grown over various types of substrates; mechanisms for nematicity without long-range magnetic order, or magnetism without nematic order; new materials based on intercalation, and in particular, recent efforts on FeSe-based systems. This Focus Topic will cover the latest experimental and theoretical issues pertaining to both normal and superconducting properties of IBS, covering both pnictide and chalcogenide materials. By better understanding how the different crystalline, magnetic and electronic structures in the distinct families of IBS relate to each other and to other unconventional superconducting and heavy fermion materials, such as the cuprates and the intermetallic 115’s; the goal is to enhance the potential for discovering new superconducting systems with higher Tc's.

Organizers: (1) Chris Stock (University of Edinburgh), Chris Homes (Brookhaven National Laboratory), Rafael Fernandes (University of Minnesota)

9.1.2: Majorana - SC/Topological (DMP)

Topological quantum matter emerges from local degrees of freedom and is characterized by non-local topological properties, often related to symmetries. An important class of such materials are topological superconductors which can emerge for instance from conventional s-wave superconductors in the presence of spin-orbit interactions and magnetic fields, spin textures, topological insulators, or from other mechanisms which can give rise to an effective p-wave pairing. These systems can also support topological quantum states at interfaces obeying non-Abelian braid statistics such as Majorana fermions and parafermions that have attracted a lot of attention due to their potential use for topological quantum computing. This Focus Topic explores the experimental and theoretical advances in topological superconductivity and topological bound states emerging in a large variety of superconducting heterostructures involving semiconducting nanowires, topological insulators, atomic chains, Shiba states, graphene, transition metal dichalcogenides, junctions with ferromagnets, integer and fractional quantum Hall states, quantum spin Hall materials, coupled wire constructions, Floquet systems, odd-frequency superconductors, etc. The Focus Topic also solicits classification of these states as well as applications of such topological quantum states to quantum information processing.

Organizers: Daniel Loss (Universität Basel), Chris Palmstrom (University of California, Santa Barbara)

10: MAGNETISM (GMAG)

10.1.1: Magnetic Nanostructures: Materials and Phenomena (GMAG/DMP)

Reduced dimensionality and confinement often lead to magnetic structures and spin behavior markedly different from that of bulk materials. This Focus Topic explores the advances in magnetic nanostructures, the novel properties that arise in magnetic materials at the nanoscale, and the advanced characterization tools required for understanding and designing these properties. Magnetic nanostructures of interest include thin films, multilayers, superlattices, nanoparticles, nanowires, nanorings, 3D nanostructures, nanocomposite materials, hybrid nanostructures, magnetic point contacts, and self-assembled, as well as patterned, magnetic arrays. Sessions will include talks on the methods used to synthesize such nanostructures, the variety of materials used, and the latest original theoretical, experimental, and technological advances. Synthesis and characterization techniques that demonstrate nano- or atomic-scale control of properties will be featured, such as: novel deposition and lithography methods (including focused electron/ion beam induced deposition); Lorentz electron microscopy; advances in synchrotron and neutron scattering techniques; novel imaging techniques (including holographic imaging of domain states); and NV center-based imaging. Phenomena and properties of interest include magnetization dynamics and reversal, magnonics, magnetic interactions, magnetic quantum confinement, spin tunneling and spin crossover, proximity and structural disorder effects, strain effects, microwave resonance and microwave assisted reversal, magnetic anisotropy, and thermal and quantum fluctuations.

Organziers: Kathryn Krycka (NIST), Kristen Buchanan (Colorado State University), Liam O’Brien (University of Cambridge)

10.1.2: Emergent Properties of Bulk Complex Oxides (GMAG/DMP) [same as 11.1.2 and 12.1.7]

The emergence of novel states of matter, arising from the intricate coupling of electronic and lattice degrees of freedom, is a unique feature in strongly correlated electron systems. This Focus Topic explores the nature of such ordered states observed in bulk compounds of transition metal oxides; it will provide a forum to discuss recent developments in theory, simulation, synthesis, and characterization, with the aim of covering basic aspects and identifying future key directions in bulk oxides. Of special interest are the ways in which the spin, lattice, charge, and orbital degrees of freedom cooperate, compete, and/or reconstruct in complex transition metal oxides to produce novel phenomena as well as novel magnetic states, often with exotic topological properties that can arise from the interplay of spin-orbit coupling and Coulomb interactions. Associated with this complexity is a tendency for new forms of order, such as the formation of stripes, ferroic states, spin-orbit entangled states or phase separation. An additional focus of this session is on how competing interactions result in spatial correlations over multiple length scales, giving rise to enhanced electronic and magnetic susceptibilities and responses to external stimuli.

Organizers: Daniel Phelan (Argonne National Laboratory) Xianglin Ke (Michigan State University), Turan Birol (University of Minnesota)

10.1.3: Magnetic Oxide Thin Films and Heterostructures (GMAG/DMP) [same as 11.1.3 and 12.1.8]

The intricate interactions between the electronic and structural degrees of freedom make the magnetism in complex oxides an intriguing field of research. Additional phenomena can arise in thin films and heterostructures of magnetic oxides due to the design flexibility through factors such as strain, lattice symmetry, orientation, size, and interfaces with other oxides. Thus, a wide variety of interfacial phenomena such as charge transfer, orbital reconstruction, proximity effects, and modifications to local atomic structure come into play. Emergent electronic and magnetic ground states at oxide interfaces generate exciting new prospects both for discovery of fundamental physics and the development of technological applications. This Focus Topic is dedicated to the progress in the knowledge, methodologies, and tools required to advance the field of magnetism in oxide thin films, heterostructures, superlattices, and nanostructures. Synthesis, characterization, theory, and novel device physics are emphasized. Specific areas of interest include, but are not limited to, growth of oxide thin films and heterostructures, control of their magnetic properties and ordering, magnetotransport, magnetic behavior in strongly correlated systems, strong spin-orbit coupling effects, dilute magnetism, magnetoelectric phenomena, coupling of atomic and magnetic structures, and recent developments in theoretical prediction and materials-by-design approaches. Advances in techniques to probe and image magnetic order and transitions in complex oxide thin films (including scanning probes, optical, electron, neutron, and synchrotron-based techniques) are also emphasized. Note that overlap exists with other DMP and GMAG focus sessions. As a rule of thumb, if magnetism plays a key role in the investigation, then the talk is appropriate for this focus topic.

Organizers: Steve May (Drexel University), Yayoi Takamura (University of California, Davis), James Rondinelli (Northwestern University)

10.1.4: Spin Transport and Magnetization Dynamics in Metals-Based Systems (GMAG/DMP/FIAP) [same as 22.1.2]

The generation, manipulation, and detection of spin currents in metals and magnetic heterostructures are of great interest for fundamental science and applications . Understanding of fundamental spin-dependent transport physics, accompanied by progress in materials and nanoscale engineering, has already had a dramatic impact on technology. Discoveries like giant and tunneling magnetoresistance have moved to applications, and uses of more recent discoveries, including magneto-thermal effects, spin-transfer torque, spin-Hall effect, and chiral domain walls, are imminent. This Focus Topic aims to capture experimental and theoretical developments in spin transport and magnetization dynamics in mostly metal-based systems, such as ultrathin films, heterostructures, lateral nanostructures, perpendicular nanopillars, and tunnel junctions. In particular, contributions describing new results in the following areas are solicited: (i) Interplay between spin currents and magnetization dynamics in magnetic nanostructures; spin-transfer, spin-pumping and related phenomena, including current-induced magnetization dynamics in heterostructures and domain wall motion in magnetic wires; (ii) Theoretical predictions and/or experimental discovery of half-metallic band structures, both in bulk solids and at the surfaces of thin films. Spin transport and magnetization dynamics in magnetic nanostructures (e.g., TMR, CPP-GMR and lateral spin valve structures) based on half-metallic materials; (iii) Manifestations of spin-orbit interactions including, but not limited to field-like and damping-like torques on magnetic films and nanostructures, the spin-Hall, inverse spin-Hall, and anomalous Hall effects; microscopic mechanisms of magnetization damping; (iv) Electric field control of magnetic properties (e.g., anisotropy, phase transitions, etc.), including but not limited to: hybrid metal/oxide structures, piezoelectric layers coupled to ferromagnetic films, and electrolyte/ferromagnetic systems; (v) Ultrafast magnetization response to (and reversal by) intense laser pulses; magnetization dynamics at elevated temperatures, and thermally-assisted magnetization reversal; (vi) Thermoelectric spin phenomena such as giant magneto-thermopower and Peltier effects, spin-Seebeck effects, spin and anomalous Nernst and Ettingshausen effects (spin caloritronics); (vii) Thermal gradient and/or RF-driven magnonic magnetization dynamics in nanostructures, including spin wave excitation, propagation, and detection. Interactions between electronic spin current and magnon propagations in thin-film and device structures; (viii) General considerations of spin angular momentum, energy, and entropy flow, conservation laws, and Onsager reciprocity relations.

Organizers: Barry Zink (University of Denver), Chris Hammel (Ohio State University), Christian Back (Regensburg University), Kirill Belaschenko (University of Nebraska)

10.1.5: Spin-Dependent Phenomena in Semiconductors (GMAG/DMP/FIAP) [same as 08.1.1 and 22.1.4]

The field of spin-dependent phenomena in semiconductors addresses a wide range of new effects and materials systems [e.g., III-V and II-VI heterostructures, group-IV materials including Si, Ge, diamond and graphene, transition-metal dichalcogenides (TMDs) and other 2D semiconductors, and oxide semiconductors] and new structures (e.g., quantum dots and nanocrystals, nanowires and carbon nanotubes, hybrid ferromagnetic/semiconductor structures, and van der Waals heterojunctions). This Focus Topic solicits contributions aimed at understanding spin-dependent processes in magnetic and non-magnetic structures incorporating semiconducting materials. Topics include: (i) electrical and optical spin injection and detection, spin pumping, spin Hall effects, spin-dependent topological effects, spin filtering, spin dynamics and scattering; (ii) growth, characterization, electrical, optical and magnetic properties of magnetic semiconductors, nanocomposites, and hybrid ferromagnet-semiconductor structures, including quantum dots, nanocrystals, and nanowires; (iii) spin and valley dynamics in TMDs and other monolayer semiconductors, including magnetic field effects; (iv) spin-dependent transport, spin-dependent thermal effects, and dynamical effects in semiconductors with or without spin-orbit interactions, including proximity effects in heterostructures; (v) manipulation, detection, and entanglement of electronic and nuclear spins in quantum systems , including dots, impurities and point defects (e.g., NV centers in diamond); (vi) magneto-resistance and magneto-electroluminescence effects in organic semiconductors; (vii) spin-dependent devices and device proposals involving semiconductors; and (viii) quantum anomalous Hall effects in magnetically doped topological insulators and topological insulator/ferromagnetic insulator heterostructures.

Organizers: Paul Crowell (University of Minnesota), Scott Crooker (Los Alamos National Laboratory), Jaroslav Fabian (Regensburg University)

10.1.6: Frustrated Magnetism (GMAG/DMP)

Simple antiferromagnets on bipartite lattices have well-understood ground states, elementary excitations, thermodynamic phases and phase transitions. At the forefront of current research are frustrated magnets where competing interactions suppress magnetic order and may lead to qualitatively new behavior. Frustrated magnets may realize novel quantum-disordered ground states with fractionalized excitations akin to those found in one-dimensional antiferromagnets, but with a number of novel features. They are often characterized by significant spin-orbit and crystal-field interactions as well as by varying degrees of spatial anisotropy. This Focus Topic solicits abstracts for presentations that explore both theoretical and experimental aspects of the field. The themes to be represented are united by geometrical frustration: valence-bond solids, spin nematics, and other exotic ordered states; spin ice, quantum spin liquids, order-from-disorder, magnetoelastic coupling, and novel field-induced behavior; synthesis and modeling of new materials with magnetic frustration. Also of interest are the effects of strongly fluctuating spins on properties beyond magnetism, including charge, spin, and energy transport, and ferroelectricity.

Organizers: Gia-Wei Chern (University of Virginia), Vivien Zapf (Los Alamos National Laboratory), Stuart Calder (Oak Ridge National Laboratory

10.1.7: Spin-orbit Mediated Chiral Spin Textures (GMAG/DMP)

A strong spin-orbit interaction combined with inversion symmetry breaking gives rise to a finite Dzyaloshinskii-Moriya interaction, which manifests itself as the formation of chiral spin textures. The novel properties of these textures offer many exciting opportunities in the fields of nanomagnetism and spintronics. This Focus Session will address the most recent developments in the field of chiral spin textures in strongly spin-orbit coupled systems. It will cover (bulk/thin-film) material synthesis and characterization, numerical and analytical modeling, and device design and measurement, combining experimental and theoretical aspects of the field. Specific areas of interest include, but are not limited to: vortex-like magnetic skyrmions in bulk systems – B20 compounds and beyond, Néel skyrmions in interfacially asymmetric thin-film heterostructures, chiral magnetic domain walls, chiral magnetization dynamics, spin Hall effects, spin-orbit torques, physics and control of Dzyaloshinskii-Moriya interactions, interfacial magnetism, topological transport phenomena, emergent electrodynamics, and novel logic and memory architectures based on non-trivial topological spin textures. Advanced techniques to study the chiral spin textures, such as spin-polarized scanning tunneling microscopy, magneto-optical Kerr effect microscopy, Brillouin light scattering spectroscopy, spin-polarized low energy electron microscopy, NV center microscopy, Lorentz transmission electron microscopy, and synchrotron-based techniques will also be included. The key future directions of the field will be identified. It is expected that this Focus Session will not only promote the fundamental understanding of chiral spin textures and their dynamics, but also facilitate progress towards potential technological applications.

Organizers: Geoff Beach (MIT), Christopher Marrows (University of Leeds), Amanda Petford-Long (Argonne National Laboratory), Andre Thiaville (Paris-Sud University

10.1.8: Low-Dimensional and Molecular Magnetism (GMAG/DMP)

The possibility of reduction to zero-dimensionality allows exploration of novel size and quantum effects in magnetic systems. While single spins can be isolated in semiconducting devices or by scanning probe techniques, the molecular approach introduces synthetic flexibility, providing the possibility of engineering the magnetic quantum response of a spin system. The development and study of molecular and low-dimensional magnetic systems continues to provide a fertile testing ground to explore complex magnetic behavior and new challenges for the development of experimental techniques and theoretical models. New frontiers are also represented by the possibility of combining low-dimensional magnetic systems in hybrid architectures and to study the interplay between spins and functional nanostructures. This Focus Topic solicits abstracts that explore inorganic and organic molecule-based, as well as solid state, systems, and both theoretical and experimental aspects of the field. Topics of interest include: magnetism in zero, one, and two dimensions (e.g., quantum dots, single molecule magnets, spin chains, interfaces between molecular spins and functional surfaces), spin-orbit and super-exchange couplings, quantum critical low dimensional spin systems, topological excitations, quantum tunneling of magnetization, coherent spin dynamics and quantum correlation (entanglement), and novel field-induced behavior.

Organizers: Mark Meisel (University of Florida), Matt Stone (Oak Ridge National Laboratory)

11: STRONGLY CORRELATED SYSTEMS, INCLUDING QUANTUM FLUIDS AND SOLIDS (DCMP)

11.1.1: Dielectric and Ferroic Oxides (DMP/DCOMP) [same as 07.1.1, 16.1.13]

No Description Provided

11.1.2: Emergent Properties of Bulk Complex Oxides (GMAG/DMP) [same as 10.1.2]

No Description Provided

11.1.3: Magnetic Oxide Thin Films and Heterostructures (GMAG/DMP) [same as 10.1.3 and 12.1.8]

No Description Provided

12: COMPLEX STRUCTURED MATERIALS, INCLUDING GRAPHENE (DCMP)

12.1.1: 2D materials: synthesis, defects, structure and properties (DMP)

The interest in two dimensional (2D) materials is rapidly spreading across all scientific and engineering disciplines due to their exceptional chemical, mechanical, optical and electrical properties, which not only provide a platform to investigate fundamental physical phenomena but also promise solutions to the most relevant technological challenges. 2D materials find their immediate application in field effect transistors, gas sensors, bio-detectors, mechanical resonators, optical modulators and energy harvesting devices with superior performances that have already been demonstrated in prototype devices. However, the true impact will only be made if the initial breakthroughs are transformed into commercial technologies. A major challenge towards the commercialization of 2D materials is the large area, scalable and controllable growth of highly crystalline layers in a cost effective way. So far the best quality samples of 2D materials have been obtained through micromechanical exfoliation of naturally occurring single crystals. Chemical vapor deposition (CVD) is the most widely used bottom-up technique to grow large area 2D-materials. Several top-down approaches have also been adopted based on bulk liquid phase chemical and electrochemical exfoliation. The 2D focus topic will cover:

  • Experimental, theoretical, and computational studies illuminating various aspects of the growth process including, e. g., layer number and stacking geometry control, the formation of topological and structural defects, grain size and grain boundary control, and the effect of substrate chemistry, crystallography and strain
  • Methods of doping
  • Templated or bottom-up growth or top-down synthesis of nanostructures and integration with other materials
  • Characterization and modeling of the structural, mechanical, electronic, and optical properties of the synthesized 2D materials

Organizers: Tony Heinz (Stanford University), Nathan Guisinger (Argonne National Laboratory), Qing Hua Wang (Arizona State University)

12.1.2: 2D materials: semiconductors (DMP/FIAP) [same as 16.1.16]

Research exploring 2D semiconductors and their heterostructures are rapidly expanding to include a wide variety of layered material systems with diverse properties, including strong many body interactions, strong spin-orbit coupling effects, spin- and valley-dependent physics, and topological physics etc. This Focus Topic will cover experimental and theoretical/computational work related to 2D semiconductors and their heterostructures, including large bandgap materials such as many chalcogenides (e.g., MoS2, WSe2, GaSe ReSe, etc.), phosphorene and h-BN, small bandgap materials with possible topological effects (such as silicene, germanene, stanene, and Bi2Se3 etc.), and magnetic semiconductors (e.g. CrGeTe3, Mn:MoS2, etc.). Important areas related to monolayers, few-layers and heterostructures include quantum transport properties, mobility engineering, spin- and valley-dependent phenomena, 2D exciton physics, defect engineering on optical and electronic properties, understanding the role of the dielectric environment, many-body effects, magnetic properties, and thermal and mechanical properties.

Organizers: Roland Kawakami (Ohio State University), Kin Fai Mak (Penn State University) Feng Liu (University of Utah)

12.1.3: Devices from 2D materials: function, fabrication and characterization (DMP)

With the rapid progress in the research on 2D materials, including graphene and other layered material systems, a wide variety of properties and functionalities have emerged that have broad scientific and technological significance. The rational design of devices consisting of 2D materials calls for improved understanding of their intrinsic and extrinsic properties that are critical to the device functionality, as well as their integration with other device components. The development of these 2D materials based devices also requires solutions to problems associated with material functionalization, structural fabrication, and device characterization. This Focus Topic will cover experimental and theoretical/computational work related to devices based on the growing array of 2D materials that exhibit a wide variety of behaviors – such as metallic, semiconducting, insulating, magnetic, superconducting, and various strongly correlated electronic phenomena. These 2D materials include (but are not limited to) graphene, transition-metal chalcogenides (e.g., MoS2, WSe2, NbSe2, TaS2, FeSe etc.), silicene, germanane, stannanane, phosphorene, topological insulators (e.g., Bi2Se3, Bi2Te3, etc.), layered oxides (e.g., BSCCO), and large band gap materials such as h-BN. We invite contributions on topics including: (i) the functionalization, fabrication, measurements, and modeling of devices based on the unique properties of 2D materials in the single- or multi-layered forms as well as their heterostructures; (ii) proof-of-principle studies focusing on the electronic, magnetic, optical, mechanical, thermal, and chemical behaviors of 2D materials relevant for device applications; and (iii) interfacial, environmental, and system-based properties and behaviors inherent to the application of 2D materials in future devices.

Organizers: Xiaobo Yin (Univerity of Colorado), Ye Yu (Peking University)

12.1.4: 2D materials: metals, superconductors, and correlated materials (DMP)

After the discovery of graphene and other two-dimensional (2D) semiconductors and semimetals, research exploring 2D materials is rapidly expanding to include a wide variety of layered material systems with diversely different properties. There is enormous interest in building functional structures and devices based on these novel 2D materials, some possibly integrated with graphene or 2D semiconductors. This symposium will cover experimental and theoretical/computational work related to 2D materials that are metallic, superconductors, or have other correlated electronic phases such as charge or spin density waves, Mott insulators, etc. Examples of these 2D materials include various types of layered chalcogenides (eg. NbSe2, TaS2, FeSe) and oxides (eg. BSCCO, V2O5). Particular focus will be on the electronic, thermal, magnetic, and optical properties and functions of few-layers and monolayers of these materials and their heterostructures. Material synthesis (in either bulk or nanostructure form), device fabrication and integration are also included, as well as applications exploiting unique properties of these materials.

Organizers: Abhay Pasupathy (Columbia Univerity), Cory Dean (Columbia University), Ben Hunt (Carnegie Mellon University)

12.1.5: Carbon Nanotubes and Related Materials (DMP)

Interest in the fundamental properties and applications of carbon nanotubes and related materials remains high. This is because of their unique combination of electrical, chemical, mechanical, thermal, optical, spectroscopic and magnetic properties. This focus topic addresses recent developments in the fundamental understanding of nanotubes and related materials, including synthesis, characterization, processing, purification, chemical, mechanical, thermal, electrical, optical, and magnetic properties. This session will highlight how these properties lead to new fundamental physical phenomena and existing or potential applications for interconnects, transistors, thermal management, composites, super-capacitors, nanosensors, nanoprobes, field emitters, storage media, magnetic devices, etc.. Experimental and theoretical contributions are solicited in the following areas:

  • Synthesis and characterization of nanotubes, nanohorns, nanocones, and related nanostructures;
  • Control or optimization of growth, including helicity control and in-situ studies;
  • Purification, separation, chemical functionalization, alignment/assembly;
  • Structure and properties of hybrid systems, including filled and chemically modified carbon nanotubes and nanotube peapods;
  • Mechanical and thermal properties of these nanostructures and their composites;
  • Electrical and magnetic properties of these systems;
  • Mesoscopic, structural, optical, opto-electronic and transport properties as well as their spectroscopic characterization.
  • BN and other inorganic nanotubes; other 3D forms of sp2-carbon

The focus topic will also cover the broad applications of these nanosystems, including:

  • Electronic devices including interconnects, supercapacitors, transistors, memory;
  • Thermal management applications;
  • Multifunctional nanotube composites;
  • Chemical and bio-sensing applications;
  • Field emission;
  • New generations of magnetic and electronic devices

Organizers: Chongwu Zhou (University of Southern California), George Tulevski (IBM)

12.1.6: Van der Waals bonding in advanced materials (DMP) [same as 16.1.17]

Whether binding organic components together, facilitating physisorption or modifying molecular chemisorption processes, van der Waals interactions are vital to structure, stability and function. They are ubiquitous in organic, inorganic, polymeric, and biological systems and play a fundamental role in defining underlying physical and chemical properties. There is no disputing the existence of van der Waals forces, yet our fundamental grasp of their impact on materials properties is still poor. While these forces are typically weaker than the internal (covalent) bonds that hold a molecule together, they still span a few orders of magnitude and thus present a unique challenge to both theory and experiment. This focus session aims to bring together theorists and experimentalists from a wide range of disciplines to discuss the key challenges and recent progress in the synthesis, characterization, and design of van der Waals bonded complexes and materials. The goal is to share new insights into how non-covalent interactions result in novel physical phenomena in these materials.

Organizers: Leeor Kronik (Weizmann Institute of Science), Valentino Cooper (Oak Ridge National Laboratory)

12.1.7: Computation Discovery and Design of Novel Materials (DMP/DCOMP) [same as 16.1.1]

Advances in algorithms, computational power, and the ability to predictively model physical phenomena are spurring the computational discovery and design of novel materials, allowing for virtual materials synthesis and characterization before their realization in the laboratory. This focus topic will cover studies at the frontier of computational materials discovery and design, ranging from quantum-level prediction to macro-scale property optimization. Topics of interest include, but are not limited to: Computational materials design and discovery, high-throughput computation and automatized data analysis, computational materials databases, materials informatics, data mining, machine learning, global structure and property optimizations, algorithms for searching the structure/composition space, first principles property prediction, methods for uncertainty quantification, improved accuracy or efficiency, and computational modeling of materials synthesis. Of particular interest are contributions that apply novel data/computation-intensive approaches to materials design, that feature a strong connection to experiment, and those that translate physical insights gained from computation into advanced materials by design. The application focus broadly covers electronic materials, ranging from low-power electronics (Mottronics), energy conversion and storage materials (thermoelectrics, batteries, fuel cells, photocatalysts, photovoltaics), to novel materials for non-linear optics and data processing (spintronics).

Organizers: Richard Hennig (University of Florida), Vladan Stevanovic (Colorado School of Mines), Artem Oganov (Stonybrook University), Gus Hart (Brigham Young University)

12.1.8: Magnetic Oxide Thin Films and Heterostructures (GMAG/DMP) [same as 10.1.3 and 11.1.3]

No Description Provided

12.1.9: Glassy & Amorphous Systems, including Quasicrystals

No Description Provided

12.1.10: Growth, Structure, Properties, and Defects [same as 7.2 and 13.2]

No Description Provided

12.1.11: Complex phases: colloids and alloys (GSOFT, GSNP, DMP) [same as 2.1.6 and 3.1.6]

Ordered, nonperiodic phases of matter occur in natural materials and aggregates of fabricated particles, posing challenges to fundamental theories of phase stability and formation, expanding the range of accessible engineered materials, and raising the possibility of novel physical properties. This session aims to highlight work on quasicrystals and incommensurate materials, limit-periodic phases, hyperuniform systems, and complex self-assembling structures. Topics will include geometric and thermodynamic properties, growth kinetics and assembly protocols, targeted design of constituent particles, and spectral and transport properties. The session will provide a forum for sharing insights emerging from studies of different types of materials, from atomic alloys, to shaped nanoparticles, micron-scale colloidal particles with designed shapes or interactions, and manufactured macroscopic structures.

Organizer: D.A. Egolf (Georgetown University)