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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.
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Efficient Computational Design of 2D van der Waals Heterostructures: Band-Alignment, Lattice-Mismatch, Web-app Generation and Machine-learning
TL;DR: A computational database, web-apps and machine-learning models to accelerate the design and discovery of two-dimensional (2D)-heterostructures and DFT calculations of selected systems to compare the band-alignment description with the predictions from Anderson rule are carried out.
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High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage
TL;DR: In this article, the spin-orbit-spillage is used to identify topologically non-trivial materials based on band inversion induced by spinorbit coupling (SOC) effect.
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Effects of octahedral tilting on the site of substitution of manganese in CaTiO3
Russell A. Maier,Kevin F. Garrity,Andrew Ozarowski,Matthew P. Donohue,Matthew P. Donohue,Giannantonio Cibin,Igor Levin +6 more
TL;DR: In this paper, electron paramagnetic resonance (EPR) and X-ray absorption fine structure measurements were combined with first principles calculations to investigate the substitutional behavior of Mn ions in perovskite CaTiO3 ceramics.
Posted Content
Density Functional Theory and Deep-learning to Accelerate Data Analytics in Scanning Tunneling Microscopy
Kamal Choudhary,Kevin F. Garrity,Charles H. Camp,Sergei V. Kalinin,Rama K. Vasudevan,Maxim Ziatdinov,Francesca Tavazza +6 more
TL;DR: In this paper, the authors introduced the first systematic database of scanning tunneling microscope (STM) images obtained using density functional theory (DFT) for two-dimensional (2D) materials, calculated using the Tersoff-Hamann method.
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High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors.
TL;DR: In this article , the authors used a high-throughput workflow to screen over 1000 2D materials in the JARVIS-DFT database and performed electron-phonon coupling calculations, using the McMillan-Allen-Dynes formula to calculate the superconducting transition temperature (Tc) for 165 of them.