Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment

• Published in: Semiconductor Physics Quantum Electronics & Optoelectronics
• Date: 2016
• Main Authors: Bletskan, D.I., Glukhov, K.E., Frolova, V.V.
• Format: Article
• Language: English
• Published: Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України 2016
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/121533
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment / D.I. Bletskan, K.E. Glukhov, V.V. Frolova // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2016. — Т. 19, № 1. — С. 98-108. — Бібліогр.: 42 назв. — англ.

Energy band structure, total and local partial densities of states, spatial distribution of electronic density of 2H-SnSe₂ have been calculated using the densitym functional theory method in LDA and LDA+U approximations both with and without consideration of spin-orbit interaction. From the band str...