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Electronic structure of cubic ScF₃ from first-principles calculations

Electronic structure of cubic ScF₃ from first-principles calculations

The ground state properties of cubic scandium trifluoride (ScF₃) perovskite were studied using first-principles calculations. The electronic structure of ScF₃ was determined by linear combination of atomic orbital (LCAO) and plane wave projector augmented-wave (PAW) methods using modified hybrid exc...

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Bibliographic Details
Main Authors: Bocharov, D., Žguns, P., Piskunov, S., Kuzmin, A., Purans, J.
Format: Article
Language:English
Published: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2016
Series:Физика низких температур
Subjects:
Low-Temperature Radiation Effects in Wide Gap Materials
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/129171
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http://dspace.nbuv.gov.ua/handle/123456789/129171

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