14.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Fermi National Accelerator LaboratoryUS2.3k papers
- University of RochesterUS2.2k papers
- Centre National de la Recherche ScientifiqueFR2.1k papers
- California Institute of TechnologyUS2k papers
- University of FloridaUS2k papers
- Massachusetts Institute of TechnologyUS1.9k papers
- Purdue University West LafayetteUS1.8k papers
- University of Maryland, College ParkUS1.8k papers
- Institut National de Physique Nucléaire et de Physique des ParticulesFR1.8k papers
- Tata Institute of Fundamental ResearchIN1.7k papers
- University of California, DavisUS1.7k papers
- Joint Institute for Nuclear ResearchRU1.7k papers
24 papers · 2 filters
Computational Investigation of Inverse-Heusler compounds for Spintronics Applications
Jianhua Ma, Jiangang He, Dipanjan Mazumdar +6
First-principles calculations of the electronic structure, magnetism and structural stability of inverse-Heusler compounds with the chemical formula \textit{XYZ} are presented…
Lattice thermal transport in group II-alloyed PbTe
Yi Xia, James M. Hodges, Mercouri G. Kanatzidis +1
PbTe, one of the most promising thermoelectric materials, has recently demonstrated thermoelectric figure of merit () of above 2.0 when alloyed with group II elements. The impr…
Valley-selective optical Stark effect probed by Kerr rotation
Trevor LaMountain, Hadallia Bergeron, Itamar Balla +3
The ability to monitor and control distinct states is at the heart of emerging quantum technologies. The valley pseudospin in transition metal dichalcogenide (TMDC) monolayers is a…
Electronic Structure of Lanthanide Scandates
Christopher A. Mizzi, Pratik Koirala, Laurence D. Marks
X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy and density functional theory calculations were used to study the electronic structure of three lanthanide…
Nonlinear Phononic Control and Emergent Magnetism in Mott Insulating Titanates
Mingqiang Gu, James M. Rondinelli
Optical control of structure-driven magnetic order offers a platform for magneto-optical terahertz devices. We control the magnetic phases of Mott insulating titanates using…
Reentrant Metallic Behavior in the Weyl Semimetal NbP
J. Xu, D. E. Bugaris, Z. L. Xiao +4
We report the occurrence of reentrant metallic behavior in the Weyl semimetal NbP. When the applied magnetic field is above a critical value , a reentrance appears as a pe…
A polymorphous band structure model of gapping in the anti-ferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO
Giancarlo Trimarchi, Alex Zunger
A band structure description of the observed large band gaps and moments in both the antiferromagnetic (AFM) and paramagnetic (PM) phases of the classic NaCl-structure Mott insulat…
Separation of Electron and Hole Dynamics in the Semimetal LaSb
F. Han, J. Xu, A. S. Botana +8
We report investigations on the magnetotransport in LaSb, which exhibits extremely large magnetoresistance (XMR). Foremost, we demonstrate that the resistivity plateau can be expla…
Correlated local dipoles in PbTe
Boris Sangiorgio, Emil S. Bozin, Christos D. Malliakas +6
We present a combined single-crystal x-ray diffuse scattering and ab-initio molecular dynamics study of lead telluride, PbTe. Well-known for its thermoelectric and narrow-gap semic…
Ice-Templated W-Cu Composites with High Anisotropy
André Röthlisberger, Sandra Häberli, Henning Galinski +2
Controlling anisotropy in self-assembled structures enables engineering of materials with highly directional response. Here, we harness the anisotropic growth of ice walls in a the…
Simulating complex crystal structures using the phase-field crystal model
Eli Alster, David Montiel, Katsuyo Thornton +1
We introduce a phase-field crystal model that creates an array of complex three- and two-dimensional crystal structures via a numerically tractable three-point correlation function…
Simulation and analysis of -Ni cellular growth during laser powder deposition of Ni-based superalloys
Supriyo Ghosh, Nana Ofori-Opoku, Jonathan E. Guyer
Cellular or dendritic microstructures that result as a function of additive manufacturing solidification conditions in a Ni-based melt pool are simulated in the present work using…
Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues
Gustavo M. Dalpian, Qihang Liu, Constantinos C. Stoumpos +4
Shifting the Fermi energy in solids by doping, defect formation or gating generally results in changes in the charge density distribution, which reflect the ability of the bonding…
Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors
Jiangang He, Cesare Franchini
In this paper we assess the predictive power of the self-consistent hybrid functional scPBE0 in calculating the band gap of oxide semiconductors. The computational procedure is bas…
A two-dimensional hexagonal sheet of TiO
Hossein Asnaashari Eivari, S. Alireza Ghasemi, Hossein Tahmasbi +5
We report on the ab initio discovery of a novel putative ground state for quasi two-dimensional TiO through a structural search using the minima hopping method with an artifici…
Cubine, a superconducting 2-dimensional copper-bismuth nano sheet
Maximilian Amsler, Zhenpeng Yao, Chris Wolverton
We report on the discovery of a 2-dimensional copper-bismuth nano sheet from \textit{ab initio} calculations, which we call cubine. According to our predictions, single layers of c…
A critical study of the elastic properties and stability of Heusler compounds: Phase change and tetragonal compounds
Shu-Chun Wu, S. Shahab Naghavi, Gerhard H. Fecher +1
In the present work, the elastic constants and derived properties of tetragonal and cubic Heusler compounds were calculated using the high accuracy of the full-potential linearized…
Nanoscale Voltage Enhancement at Cathode Interfaces in Li-ion Batteries
Shenzhen Xu, Ryan Jacobs, Chris Wolverton +2
Interfaces are ubiquitous in Li-ion battery electrodes, occurring across compositional gradients, regions of multiphase intergrowths, and between electrodes and solid electrolyte i…
Second-Order Spectral Lineshapes from Charged Interfaces
Paul E. Ohno, Hong-fei Wang, Franz M. Geiger
Second-order nonlinear spectroscopy has proven to be a powerful tool in elucidating key chemical and structural characteristics at a variety of interfaces. However, the presence of…
Atomic Order in Non-Equilibrium Silicon-Germanium-Tin Semiconductors
S. Mukherjee, N. Kodali, D. Isheim +5
The precise knowledge of the atomic order in monocrystalline alloys is fundamental to understand and predict their physical properties. With this perspective, we utilized laser-ass…
Relative Permittivity in the Electrical Double Layer from Nonlinear Optics
Mavis D. Boamah, Paul E. Ohno, Franz M. Geiger +1
Second harmonic generation (SHG) spectroscopy has been applied to probe the fused silica/water interface at pH 7 and the uncharged 11bar02 sapphire/water interface at pH 5.2 in con…
Valley-Polarized Exciton-Polaritons in a Monolayer Semiconductor
Yen-Jung Chen, Jeffrey D. Cain, Teodor K. Stanev +2
Single layers of transition metal dichalcogenides are two-dimensional direct bandgap semiconductors with degenerate, but inequivalent, `valleys' in the electronic structure that ca…
Influence of grafting on the glass transition temperature of PS thin films
Hénot Marceau, Chennevière Alexis, Drockenmuller Eric +3
We present an investigation of the effect of the interaction between a thin polystyrene film and its supporting substrate on its glass transition temperature (Tg). We modulate this…
Liquid-like thermal conduction in a crystalline solid
B. Li, Y. Kawakita, Q. Zhang +14
A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations. Here, we report that the crystalline solid AgCrS…