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5 results in Keywords: Point defects

Theoretical and Computational Chemistry

Computational Prediction of an Antimony-based n-type Transparent Conducting Oxide: F-doped Sb2O5

Ke Li, Joe Willis, Seán R. Kavanagh, David O. Scanlon

Version 1 posted 22 December 2023

284

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Materials Chemistry

Chemical Interpretation of Charged Point Defects in Semiconductors: A Case Study of Mg2Si

Michael Toriyama, Madison Brod, G Jeffrey Snyder

Version 1 posted 23 August 2021

661

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1

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Physical Chemistry

Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory

Abhishek Mitra, Hung Pham, Riddhish Pandharkar, Matthew Hermes, Laura Gagliardi

Version 1 posted 04 October 2021

483

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Theoretical and Computational Chemistry

Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics

Seán R. Kavanagh, Rasmus S. Nielsen, John L. Hansen, Rasmus S. Davidsen, Ole Hansen, Alp E. Samli, Peter C. Vesborg, David O. Scanlon, Aron Walsh

Version 1 posted 10 October 2024

346

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Materials Science

Mobile Intrinsic Point Defects for Conductive Neutral Domain Walls in LiNbO3

Kristoffer Eggestad, Benjamin A. D. Williamson, Dennis Meier, Sverre M. Selbach

Version 1 posted 05 July 2024

146

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