K
Kevin F. Garrity
Researcher at National Institute of Standards and Technology
Publications - 70
Citations - 4589
Kevin F. Garrity is an academic researcher from National Institute of Standards and Technology. The author has contributed to research in topics: Topological insulator & Silicon. The author has an hindex of 24, co-authored 62 publications receiving 3356 citations. Previous affiliations of Kevin F. Garrity include Yale University & Rutgers University.
Papers
More filters
Journal ArticleDOI
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere,Gustav Bihlmayer,Torbjörn Björkman,Torbjörn Björkman,Peter Blaha,Stefan Blügel,Volker Blum,Damien Caliste,Ivano E. Castelli,Stewart J. Clark,Andrea Dal Corso,Stefano de Gironcoli,Thierry Deutsch,J. K. Dewhurst,Igor Di Marco,Claudia Draxl,Claudia Draxl,Marcin Dulak,Olle Eriksson,José A. Flores-Livas,Kevin F. Garrity,Luigi Genovese,Paolo Giannozzi,Matteo Giantomassi,Stefan Goedecker,Xavier Gonze,Oscar Grånäs,Oscar Grånäs,E. K. U. Gross,Andris Gulans,Andris Gulans,Francois Gygi,D. R. Hamann,P. J. Hasnip,Natalie Holzwarth,Diana Iusan,Dominik B. Jochym,F. Jollet,Daniel M. Jones,Georg Kresse,Klaus Koepernik,Klaus Koepernik,Emine Kucukbenli,Emine Kucukbenli,Yaroslav Kvashnin,Inka L. M. Locht,Inka L. M. Locht,Sven Lubeck,Martijn Marsman,Nicola Marzari,Ulrike Nitzsche,Lars Nordström,Taisuke Ozaki,Lorenzo Paulatto,Chris J. Pickard,Ward Poelmans,Matt Probert,Keith Refson,Keith Refson,Manuel Richter,Manuel Richter,Gian-Marco Rignanese,Santanu Saha,Matthias Scheffler,Matthias Scheffler,Martin Schlipf,Karlheinz Schwarz,Sangeeta Sharma,Francesca Tavazza,Patrik Thunström,Alexandre Tkatchenko,Alexandre Tkatchenko,Marc Torrent,David Vanderbilt,Michiel van Setten,Veronique Van Speybroeck,John M. Wills,Jonathan R. Yates,Guo-Xu Zhang,Stefaan Cottenier +79 more
TL;DR: A procedure to assess the precision of DFT methods was devised and used to demonstrate reproducibility among many of the most widely used DFT codes, demonstrating that the precisionof DFT implementations can be determined, even in the absence of one absolute reference code.
Journal ArticleDOI
Pseudopotentials for high-throughput DFT calculations
TL;DR: In this article, the authors present design criteria and testing results for a new open-source "GBRV" ultrasoft pseudopotential library that has been optimized for use in high-throughput DFT calculations.
Journal ArticleDOI
Antiferroelectricity in thin-film ZrO2 from first principles
TL;DR: In this paper, the authors used first-principles calculations to show that antiferroelectricity is an intrinsic property of ZrO${}_{2}$ that appears via a previously unrecognized mechanism where the polarization is stabilized by zone-boundary modes.
Journal ArticleDOI
Crystalline Oxides on Silicon
James W. Reiner,Alexie M. Kolpak,Y. Segal,Kevin F. Garrity,Sohrab Ismail-Beigi,Chong H. Ahn,Frederick J. Walker +6 more
TL;DR: This review outlines developments in the growth of crystalline oxides on the ubiquitous silicon semiconductor platform and describes the science and technology of using atomic layer-by-layer deposition with molecular beam epitaxy (MBE) to systematically construct the oxide-silicon interface.
Journal ArticleDOI
Wannier center sheets in topological insulators
TL;DR: In this paper, the Wannier charge centers (WCCs) are obtained by carrying out a Wanniers transform on the Bloch functions in one dimension while leaving them Bloch-like in the other two.