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Kevin F. Garrity
Kevin F. Garrity
Research Physicist, NIST
E-mail confirmado em nist.gov - Página inicial
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Pseudopotentials for high-throughput DFT calculations
KF Garrity, JW Bennett, KM Rabe, D Vanderbilt
Computational Materials Science 81, 446, 2013
14032013
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
1402*2016
Crystalline oxides on silicon
JW Reiner, AM Kolpak, Y Segal, KF Garrity, S Ismail‐Beigi, CH Ahn, ...
Advanced Materials 22 (26‐27), 2919-2938, 2010
2642010
Antiferroelectricity in thin-film ZrO2 from first principles
SE Reyes-Lillo, KF Garrity, KM Rabe
Physical Review B 90, 140103(R), 2014
2482014
The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design
K Choudhary, KF Garrity, ACE Reid, B DeCost, AJ Biacchi, ...
npj computational materials 6 (1), 173, 2020
2462020
Wannier center sheets in topological insulators
M Taherinejad, KF Garrity, D Vanderbilt
Physical Review B 89, 115102, 2014
1802014
Hexagonal Semiconductors as Ferroelectrics
JW Bennett, KF Garrity, KM Rabe, D Vanderbilt
Physical review letters 109 (16), 167602, 2012
1502012
Chern insulators from heavy atoms on magnetic substrates
KF Garrity, D Vanderbilt
Physical review letters 110 (11), 116802, 2013
1212013
Hyperferroelectrics: Proper Ferroelectrics with Persistent Polarization
KF Garrity, KM Rabe, D Vanderbilt
Physical Review Letters 112, 127601, 2014
1022014
Chemistry of ferroelectric surfaces
K Garrity, AM Kolpak, S Ismail‐Beigi, EI Altman
Advanced materials 22 (26‐27), 2969-2973, 2010
962010
Ferroelectric surface chemistry: First-principles study of the PbTiO surface
K Garrity, A Kakekhani, A Kolpak, S Ismail-Beigi
Physical Review B 88 (4), 045401, 2013
952013
Orthorhombic A B C Semiconductors as Antiferroelectrics
JW Bennett, KF Garrity, KM Rabe, D Vanderbilt
Physical review letters 110 (1), 017603, 2013
782013
High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses
K Choudhary, KF Garrity, V Sharma, AJ Biacchi, AR Hight Walker, ...
npj computational materials 6 (1), 64, 2020
742020
Role of strontium in oxide epitaxy on silicon (001)
JW Reiner, KF Garrity, FJ Walker, S Ismail-Beigi, CH Ahn
Physical review letters 101 (10), 105503, 2008
742008
Distinct magneto-Raman signatures of spin-flip phase transitions in CrI3
A McCreary, TT Mai, FG Utermohlen, JR Simpson, KF Garrity, X Feng, ...
Nature communications 11 (1), 3879, 2020
732020
Data-driven discovery of 3D and 2D thermoelectric materials
K Choudhary, KF Garrity, F Tavazza
Journal of Physics: Condensed Matter 32 (47), 475501, 2020
582020
Intertwined Rashba, Dirac, and Weyl fermions in hexagonal hyperferroelectrics
D Di Sante, P Barone, A Stroppa, KF Garrity, D Vanderbilt, S Picozzi
Physical review letters 117 (7), 076401, 2016
582016
Chern insulator at a magnetic rocksalt interface
KF Garrity, D Vanderbilt
Physical Review B 90, 121103(R), 2014
572014
Prediction of Weyl semimetal and antiferromagnetic topological insulator phases in Bi2MnSe4
S Chowdhury, KF Garrity, F Tavazza
npj Computational Materials 5 (1), 33, 2019
562019
First-principles search for -type oxide, nitride, and sulfide thermoelectrics
KF Garrity
Physical Review B 94 (4), 045122, 2016
522016
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Artigos 1–20