PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materi...

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Vydané v:	Computer physics communications Ročník 226; s. 165 - 179
Hlavní autori:	Broberg, Danny, Medasani, Bharat, Zimmermann, Nils E.R., Yu, Guodong, Canning, Andrew, Haranczyk, Maciej, Asta, Mark, Hautier, Geoffroy
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States Elsevier B.V 01.05.2018 Elsevier
Predmet:	Charged defects Density functional theory Insulators MATHEMATICS AND COMPUTING Point defects Python Semiconductors Charged defects Insulators Density functional theory Point defects Semiconductors Python
ISSN:	0010-4655, 1879-2944
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