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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Bibliographic Details

Published in:	Computer physics communications Vol. 226; pp. 165 - 179
Main Authors:	Broberg, Danny, Medasani, Bharat, Zimmermann, Nils E.R., Yu, Guodong, Canning, Andrew, Haranczyk, Maciej, Asta, Mark, Hautier, Geoffroy
Format:	Journal Article
Language:	English
Published:	United States Elsevier B.V 01.05.2018 Elsevier
Subjects:	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
Online Access:	Get full text
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