Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- California Institute of TechnologyUS2.6k papers
- Centre National de la Recherche ScientifiqueFR2k papers
- Massachusetts Institute of TechnologyUS1.9k papers
- University of FloridaUS1.8k papers
- Carnegie Mellon UniversityUS1.7k papers
- Princeton UniversityUS1.7k papers
- University of RochesterUS1.7k papers
- Purdue University West LafayetteUS1.6k papers
- Johns Hopkins UniversityUS1.6k papers
- University of Maryland, College ParkUS1.6k papers
- The Ohio State UniversityUS1.6k papers
- University of California, Santa BarbaraUS1.6k papers
25 papers · 2 filters
Linear scaling DFT calculations for large Tungsten systems using an optimized local basis
Stephan Mohr, Marc Eixarch, Maximilian Amsler +2
Density Functional Theory (DFT) has become the quasi-standard for ab-initio simulations for a wide range of applications. While the intrinsic cubic scaling of DFT was for a long ti…
Quick X-ray Reflectivity using Monochromatic Synchrotron Radiation for Time-Resolved Applications
H. Joress, J. D. Brock, A. R. Woll
We describe and demonstrate a new technique for parallel collection of x-ray reflectivity data, compatible with monochromatic synchrotron radiation and flat substrates, and apply i…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Photoferroelectric oxides
I. Fina, C. Paillard, B. Dkhil
Giant photovoltaic effect due to bulk photovoltaic effect observed in multiferroic BiFeO3 thin films has triggered a renewed interest on photoferroelectric materials for photovolta…
Tailoring Semiconductor Lateral Multi-junctions for Giant Photoconductivity Enhancement
Yutsung Tsai, Zhaodong Chu, Yimo Han +9
Semiconductor heterostructures have played a critical role as the enabler for new science and technology. The emergence of transition metal dichalcogenides (TMDs) as atomically thi…
Electron Accumulation and Emergent Magnetism in LaMnO3/SrTiO3 Heterostructures
Zuhuang Chen, Zhanghui Chen, Z. Q. Liu +19
Emergent phenomena at polar-nonpolar oxide interfaces have been studied intensely in pursuit of next-generation oxide electronics and spintronics. Here we report the disentanglemen…
JDFTx: software for joint density-functional theory
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen A. Schwarz +3
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing…
Superconductivity in SrB3C3 clathrate
Li Zhu, Hanyu Liu, Maddury Somayazulu +12
We predict superconductivity for the carbon-boron clathrate SrB3C3 at 27-43 K for Coulomb pseudopotential (mu*) values between 0.17 and 0.10 using first-principles calculations wit…
Reorientable Spin Direction for Spin Current Produced by the Anomalous Hall Effect
Jonathan D. Gibbons, David MacNeill, Robert A. Buhrman +1
We show experimentally that the spin direction of the spin current generated by spin-orbit interactions within a ferromagnetic layer can be reoriented by turning the magnetization…
Sub-Nanometer Channels Embedded in Two-Dimensional Materials
Yimo Han, Ming-Yang Li, Gang-Seob Jung +5
Two-dimensional (2D) materials are among the most promising candidates for next-generation electronics due to their atomic thinness, allowing for flexible transparent electronics a…
Confinement Effects on the Crystalline Features of Poly(9,9-dioctylfluorene)
Jaime Martín, Alberto Scaccabarozzi, Aurora Nogales +3
Typical device architectures in polymer-based optoelectronic devices, such as field effect transistors organic light emitting diodes and photovoltaic cells include sub-100 nm semic…
Crystal growth and characterization of the pyrochlore TbTiO
D. Klimm, C. Guguschev, D. J. Kok +9
Terbium titanate (TbTiO) is a spin-ice material with remarkable magneto-optical properties. It has a high Verdet constant and is a promising substrate crystal for the e…
Nucleation of dislocations and their dynamics in layered oxides cathode materials during battery charging
A. Singer, S. Hy, M. Zhang +15
Defects and their interactions in crystalline solids often underpin material properties and functionality as they are decisive for stability, result in enhanced diffusion, and act…
Single-Crystal N-polar GaN p-n Diodes by Plasma-Assisted Molecular Beam Epitaxy
YongJin Cho, Zongyang Hu, Kazuki Nomoto +2
N-polar GaN p-n diodes are realized on single-crystal N-polar GaN bulk wafers by plasma-assisted molecular beam epitaxy growth. The current-voltage characteristics show high-qualit…
Effects of surface vibrations on interlayer mass-transport: ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands
D. G. Sangiovanni, A. B. Mei, D. Edström +4
We carry out density-functional ab initio molecular dynamics (AIMD) simulations of Ti adatom (Tiad) migration on, and descent from, TiN <100>-faceted epitaxial islands on TiN(001)…
Role of anisotropic strength and stiffness in governing the initiation and propagation of yielding in polycrystalline solids
Andrew C. Poshadel, Paul R. Dawson
The ratio of directional strength-to-stiffness is important in governing the relative order in which individual crystals within a polycrystalline aggregate will yield as the aggreg…
Topological spin dynamics in cubic FeGe near room temperature
Emrah Turgut, Matthew J. Stolt, Song Jin +1
Understanding spin-wave dynamics in chiral magnets is a key step for the development of high-speed, spin-wave based spintronic devices that take advantage of chiral and topological…
Absence of a Band Gap at Interface of a Metal and Highly Doped Monolayer
Alexander Kerelsky, Ankur Nipane, Drew Edelberg +9
High quality electrical contact to semiconducting transition metal dichalcogenides (TMDCs) such as is key to unlocking their unique electronic and optoelectronic properties…
MBE growth of 2H-MoTe2 and 1T'-MoTe2 on 3D substrates
Suresh Vishwanath, Aditya Sundar, Xinyu Liu +17
MoTe2 is the least explored material in the Molybdenum-chalcogen family, which crystallizes in thermodynamically stable semiconducting 2H phase at \textless 500 C and 1T' metallic…
Observation of oscillatory relaxation in the Sn-terminated surface of epitaxial rock-salt SnSe topological crystalline insulator
Wencan Jin, Suresh Vishwanath, Jianpeng Liu +20
Topological crystalline insulators have been recently predicted and observed in rock-salt structure SnSe thin films. Previous studies have suggested that the Se-terminate…
Symmetry-enforced Fermi degeneracy in topological semimetal RhSb
Kefeng Wang, Limin Wang, I-Lin Liu +9
Predictions of a topological electronic structure in the skutterudite TPn family (T=transition metal, Pn=pnictogen) are investigated via magnetoresistance, quantum oscillations…
Directional mechanical response in the bulk of topological metamaterials
D. Zeb Rocklin
Mechanical metamaterials are those structures designed to convey force and motion in novel and desirable ways. Recently, Kane and Lubensky showed that lattices at the point of marg…
Imaging Magnetization Structure and Dynamics in Ultrathin YIG/Pt Bilayers with High Sensitivity Using the Time-Resolved Longitudinal Spin Seebeck Effect
Jason M. Bartell, Colin L. Jermain, Sriharsha V. Aradhya +4
We demonstrate an instrument for time-resolved magnetic imaging that is highly sensitive to the in-plane magnetization state and dynamics of thin-film bilayers of yttrium iron garn…
Strong perpendicular magnetic anisotropy energy density at Fe alloy/HfO2 interfaces
Yongxi Ou, D. C. Ralph, R. A. Buhrman
We report on the perpendicular magnetic anisotropy (PMA) behavior of heavy metal (HM)/ Fe alloy/MgO thin film heterostructures after an ultrathin HfO2 passivation layer is inserted…