First-Principles Calculation of Electronic Structure and Effective Mass of a TlInS₂ Crystal

• Published in: Металлофизика и новейшие технологии
• Date: 2016
• Main Authors: Ismayilova, N.A., Orudzhev, H.S.
• Format: Article
• Language: English
• Published: Інститут металофізики ім. Г.В. Курдюмова НАН України 2016
• Subjects: Электронные структура и свойства
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/112605
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: First-Principles Calculation of Electronic Structure and Effective Mass of a TlInS₂ Crystal / N. A. Ismayilova and H. S. Orudzhev // Металлофизика и новейшие технологии. — 2016. — Т. 38, № 8. — С. 1019-1026. — Бібліогр.: 12 назв. — англ.

Electronic structure, DOS effective mass, conductivity effective mass, reduced effective mass are calculated for a TlInS₂ crystal from first principles within the framework of the density functional theory. The electronic structure of TlInS₂ is investigated by the Quantum Wise and Quantum Espresso s...