Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Oak Ridge National LaboratoryUS200 papers
- Los Alamos National LaboratoryUS198 papers
- Duke UniversityUS187 papers
- Triangle Universities Nuclear LaboratoryUS171 papers
- University of Tennessee at KnoxvilleUS134 papers
- University of WashingtonUS134 papers
- University of North Carolina at Chapel HillUS130 papers
- Lawrence Berkeley National LaboratoryUS119 papers
- University of California, BerkeleyUS103 papers
- Centre National de la Recherche ScientifiqueFR98 papers
- Indiana University BloomingtonUS94 papers
- Massachusetts Institute of TechnologyUS93 papers
148 papers · 1 filter
Oxygen Vacancies at Dislocation Core Modulate Plasticity in Strontium Titanate
Min-Chul Kang, Chunxu Yan, Alexander Frisch +3
Dislocation core chemistry in oxides critically influences mechanical behavior and functionality; yet the evolution of core chemistry during the dislocation motion in them has not…
Proximity Magnetism in Mn(Bi,Sb)2Te4-(Bi,Sb)2Te3/MnTe Natural Heterostructures
Owen A. Vail, Shu-Wei Wang, Yasen Hou +13
Magnetic topological insulators and their heterostructures provide great opportunities in coupling band topology with nontrivial spin configuration for enhanced spintronic device p…
High sub-bandgap response and fast switching enabled by thermal quenching in carbon-doped semi-insulating GaN
Jiahao Dong, Auditee Majumder Momo, Austin Fehr +6
Carbon-doped GaN is a promising material for sub-bandgap triggered optical switches. When incorporated in GaN, carbon introduces deep compensating centers that enable defect-mediat…
Toward reducing the formation temperature of diopside via wet-chemical synthesis routes using chloride precursors
N. Namvar, E. Salahinejad, A. Saberi +3
Reducing the formation temperature of single-phase multioxides is one of the classic challenges in ceramic processing, including wet-chemical synthesis routes. Toward pursuing this…
On the Origin of Carrier Loss in Mg-Doped N-Polar GaN
Masahiro Kamiyama, Shashwat Rathkanthiwar, Cristyan Quiñones-García +6
The neutral complex was found to be the primary compensator in Mg-doped, N-polar GaN. The experimental data showed a sharp drop in hole concentration once [Mg] e…
Persistent Interfacial Topological Hall Effect Demonstrating Electrical Readout of Topological Spin Structures in Insulators
Jing Li, Huilin Lai, Andrew H. Comstock +12
Conventional topological Hall effects (THE) require conducting magnets, leaving insulating systems largely inaccessible. Here we introduce the interfacial topological Hall effect (…
Modeling of silver transport in cubic SiC: Integrating molecular dynamics, bounds averaging, and uncertainty quantification
Mohamed AbdulHameed, Khadija Mahbuba, Mahmoud Yaseen +3
Silver released from TRISO fuel particles can migrate through the SiC layer and deposit on reactor components, posing radiation hazards and operational challenges. Despite numerous…
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…
A new generation of effective core potentials: Selected lanthanides and heavy elements II
Omar Madany, Benjamin Kincaid, Aqsa Shaikh +2
We present a new set of correlation-consistent effective core potentials (ccECPs) for selected heavy , , , and -block elements significant in materials science and chem…
Ab initio molecular dynamics of paramagnetic uranium mononitride (UN) using disordered local moments
Mohamed AbdulHameed, Benjamin Beeler
This work presents an investigation of the thermophysical properties of paramagnetic uranium mononitride (UN) using ab initio molecular dynamics (AIMD) simulations combined with th…
A Recipe for Flat Bands in Pyrochlore Materials: A Chemist's Perspective
Fatmagül Katmer, Milena Jovanovic, Jennifer Cano +2
Materials in which atoms are arranged in a pyrochlore lattice have found renewed interest, as, at least theoretically, orbitals on those lattices can form flat bands. However, real…
Molecular-dynamics study of diffusional creep in uranium mononitride
Mohamed AbdulHameed, Benjamin Beeler, Conor O. T. Galvin +3
Uranium mononitride (UN) is a promising advanced nuclear fuel due to its high thermal conductivity and high fissile density. Yet, many aspects of its mechanical behavior and micros…
Spin-to-charge conversion at KTaO3(111) interfaces
Athby H. Al-Tawhid, Rui Sun, Andrew H. Comstock +3
Rashba spin-orbit coupling locks the spin with momentum of charge carriers at the broken inversion interfaces, which could generate a large spin galvanic response. Here, we demonst…
Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe-Cr-Ni
Sourabh Bhagwan Kadambi, Daniel Schwen, Jia-Hong Ke +2
Multicomponent alloys undergoing irradiation damage develop radiation-induced composition redistribution at point defect sinks such as grain boundaries (GBs) and dislocations. Such…
Electron ptychography reveals a ferroelectricity dominated by anion displacements
Harikrishnan KP, Ruijuan Xu, Kinnary Patel +9
Sodium niobate, a lead-free ferroic material, hosts delicately-balanced, competing order parameters, including ferroelectric states that can be stabilized by epitaxial strain. Here…
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
Daniel Wines, Jeonghwan Ahn, Anouar Benali +10
The field of two-dimensional (2D) materials has grown dramatically in the last two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic…
Ligand Field Exciton Annihilation in Bulk CrCl3
Samanvitha Sridhar, Ario Khansari, Shaun O'Donnell +5
The layered van der Waals material CrCl3 exhibits very strongly bound ligand field excitons that control optoelectronic applications and are connected with magnetic ordering by vir…
Vacancy-mediated transport and segregation tendencies of solutes in FCC nickel under diffusional creep: A density functional theory study
Shehab Shousha, Sourabh Bhagwan Kadambi, Benjamin Beeler +1
The Nabarro-Herring (N-H) diffusional creep theory postulates the vacancy-mediated transport of atoms under a stress gradient as the creep mechanism under low-stress and high-tempe…
Structural and optical properties of self-assembled AlN nanowires grown on SiO2/Si substrates by molecular beam epitaxy
Ž. Gačević, J. Grandal, Q. Guo +4
Self assembled AlN nanowires (NWs) are grown by plasma assisted molecular beam epitaxy (PAMBE) on SiO2 / Si (111) substrates. Using a combination of in-situ reflective high energy…
Machine Learned Interatomic Potentials for Ternary Carbides trained on the AFLOW Database
Josiah Roberts, Biswas Rijal, Simon Divilov +6
Large density functional theory (DFT) databases are a treasure trove of energies, forces and stresses that can be used to train machine learned interatomic potentials for atomistic…
Materials Expert-Artificial Intelligence for Materials Discovery
Yanjun Liu, Milena Jovanovic, Krishnanand Mallayya +5
The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reli…
A priori procedure to establish spinodal decomposition in alloys
Simon Divilov, Hagen Eckert, Cormac Toher +10
Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temper…
Molecular Beam Epitaxy of KTaO
Tobias Schwaigert, Salva Salmani-Razaie, Matthew R. Barone +6
Strain-engineering is a powerful means to tune the polar, structural, and electronic instabilities of incipient ferroelectrics. KTaO3 is near a polar instability and shows anisotro…
Comprehensive Demonstration of Spin-Hall Hanle Effects in Epitaxial Pt Thin Films
Jing Li, Andrew H. Comstock, Dali Sun +1
We demonstrate a nonlinear Hall effect due to the boundary spin accumulation in Pt films grown on Al2O3 substrates. This Hall effect and the previously demonstrated Hanle magnetore…