7.7k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Space Telescope Science InstituteUS138 papers
- University of ArizonaUS124 papers
- California Institute of TechnologyUS119 papers
- Center for Astrophysics Harvard & SmithsonianUS102 papers
- Centre National de la Recherche ScientifiqueFR86 papers
- University of California, BerkeleyUS71 papers
- University of MichiganUS64 papers
- Oak Ridge National LaboratoryUS62 papers
- University of FloridaUS62 papers
- Jet Propulsion LaboratoryUS61 papers
- University of California, DavisUS61 papers
- University of Illinois Urbana-ChampaignUS61 papers
159 papers · 1 filter
A Snapshot of Time-Dependent Density-Functional Theory
Carsten A. Ullrich
Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range…
Temperature-Dependent Dielectric Function of Calcium Fluoride
T. Das, D. Alam, C. A. Ullrich +1
The optical properties of calcium fluoride (fluorspar, CaF2) are mainly determined by a strongly temperature-dependent giant infrared (IR) peak, and a series of nearly temperature-…
Observation of Anomalous Hall Effect in Bulk Single Crystals of n-type Cr-doped SbTe Magnetic Topological Insulator
Ali Sarikhani, Mathew Pollard, Jacob Cook +7
The exploration of topological Dirac surface states is significant in the realms of condensed matter physics and future technological innovations. Among the materials garnering att…
Local Inversion Symmetry Breaking and Thermodynamic Evidence for Ferrimagnetism in Fe3GaTe2
Sang-Eon Lee, Yue Li, Yeonkyu Lee +19
The layered compound Fe3GaTe2 is attracting attention due to its high Curie temperature, low dimensionality, and the presence of topological spin textures above room temperature, m…
Fast 4D-STEM-based phase mapping for amorphous and mixed materials
Andreas Werbrouck, Nikhila C. Paranamana, Xiaoqing He +1
Interpretation and mapping strategies for 4D-scanning transmission electron microscopy (4D-STEM) are well-developed for crystalline materials, yet in the case of amorphous and mixe…
Mic-hackathon 2024: Hackathon on Machine Learning for Electron and Scanning Probe Microscopy
Utkarsh Pratiush, Austin Houston, Kamyar Barakati +70
Microscopy is a primary source of information on materials structure and functionality at nanometer and atomic scales. The data generated is often well-structured, enriched with me…
Unconventional S-orbital state of Tb and cooperative Ru(4d)-Tb(4f) spin-ordering in strongly correlated 4d-4f system, Ba3TbRu2O9
E. Kushwaha, G. Roy, A. M. dos Santos +4
The 6H-perovskite Ba3RRu2O9 (R = rare-earth), composed of Ru2O9 dimers connected through RO6 octahedra, exhibits an intriguing variety of magnetic ground states, ranging from non-m…
Coupled Oscillators and Dielectric Function
T. Das, C. A. Ullrich, U. D. Jentschura
A generalized Sellmeier model, also referred to as the Lorentz-Dirac model, has been used for the description of the dielectric function of a number of technologically important ma…
DL_POLY Quantum 2.1 software: A suite of real-time path integral methods for the simulation of dynamical properties and vibrational spectra
Nathan London, Dil K. Limbu, Md Omar Faruque +2
DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simul…
Emergent Spin Fluctuation and Structural Metastability in Self-Intercalated CrTe Compounds
Clayton Conner, Ali Sarikhani, Theo Volz +13
Intercalated van der Waals (vdW) magnetic materials host unique magnetic properties due to the interplay of competing interlayer and intralayer exchange couplings, which depend on…
Formation of Lattice Vacancies and their Effects on Lithium-ion Transport in LiBO2 Crystals: Comparative Ab Initio Studies
Carson Ziemke, Ha M. Nguyen, Sebastian Amaya-Roncancio +4
The monoclinic (m-LBO) and tetragonal (t-LBO) polymorphs of LiBO2 have significant potential for applications such as solid electrolytes and electrode coatings of lithium-ion batte…
Skeletal Density Measurements for Adsorbent Nanomaterials
Andrew K. Gillespie, Zeke A. Piskulich, Ernest Knight +2
Due to their tunable material properties, sorptive materials have a wide range of applications in energy storage, water treatment, carbon capture, analytical chemistry, and more. O…
Dielectric Screening and Electric Field Control of Ferromagnetism at the CaMnO/CaRuO Interface
Churna Bhandari, S Satpathy
Control of magnetism by an applied electric field is a desirable technique for the functionalization of magnetic materials. Motivated by recent experiments, we study the electric f…
Magnetic Proximity induced efficient charge-to-spin conversion in large area PtSe/NiFe heterostructures
Richa Mudgal, Alka Jakhar, Pankhuri Gupta +11
As a topological Dirac semimetal with controllable spin-orbit coupling and conductivity, PtSe, a transition-metal dichalcogenide, is a promising material for several applicatio…
NiSi: New venue for antiferromagnetic spintronics
P. Ghosh, J. Guo, F. Ye +5
Envisaging antiferromagnetic spintronics pivots on two key criteria of high transition temperature and tuning of underlying magnetic order using straightforward application of magn…
Chemically induced ferromagnetism near room temperature in single crystal (ZnCr)Te half-metal
J. Guo, A. Sarikhani, P. Ghosh +3
Magnetic semiconductors are at the core of recent spintronics research endeavors. Chemically doped II-VI diluted magnetic semiconductors, such as (ZnCr)Te, provide pr…
Observation of 2D Weyl Fermion States in Epitaxial Bismuthene
Qiangsheng Lu, P. V. Sreenivasa Reddy, Hoyeon Jeon +20
A two-dimensional (2D) Weyl semimetal featuring a spin-polarized linear band dispersion and a nodal Fermi surface is a new topological phase of matter. It is a solid-state realizat…
Topological Spectral Bands with Frieze Groups
Fabian R. Lux, Tom Stoiber, Shaoyun Wang +2
Frieze groups are discrete subgroups of the full group of isometries of a flat strip. We investigate here the dynamics of specific architected materials generated by acting with a…
Exchange torque in noncollinear spin density functional theory with a semilocal exchange functional
Nicolas Tancogne-Dejean, Angel Rubio, Carsten A. Ullrich
We present a semilocal exchange-correlation energy functional for noncollinear spin density functional theory based on short-range expansions of the spin-resolved exchange hole and…
Temperature-dependent dielectric function of intrinsic silicon: Analytic models and atom-surface potentials
C. Moore, C. M. Adhikari, T. Das +3
The optical properties of monocrystalline, intrinsic silicon are of interest for technological applications as well as fundamental studies of atom-surface interactions. For an enha…
Violation of the Rule of Parsimony: Mixed Local Moment and Itinerant Fe Magnetism in FeGeN
Mari Tsumuraya, David J. Singh
Ternary iron nitrides are of considerable interest due to their diverse magnetic properties. We find, based on first principles calculations, that the relatively minor structural d…
Isothermal and adiabatic elastic constants from virial fluctuations
Andrey Pereverzev
We derive expressions for classical isothermal and adiabatic elastic constants for periodic systems with the boundary contributions included explicitly. The potential-dependent par…
Deep learning analysis of polaritonic waves images
Suheng Xu, Alexander S. McLeod, Xinzhong Chen +11
Deep learning (DL) is an emerging analysis tool across sciences and engineering. Encouraged by the successes of DL in revealing quantitative trends in massive imaging data, we appl…
Ferromagnetism in a Semiconductor with Mobile Carriers via Low-Level Nonmagnetic Doping
Bing-Hua Lei, David J. Singh
We show that doped cubic iron pyrite, which is a diamagnetic semiconductor, becomes ferromagnetic when -type doped. We furthermore find that this material can exhibit high spin…