The effects of strong correlations on the band structure of Ag₈SnSe₆ argyrodite

• Published in: Condensed Matter Physics
• Date: 2016
• Main Authors: Syrotyuk, S.V., Semkiv, I.V., Ilchuk, H.A., Shved, V.M.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2016
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/156555
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: The effects of strong correlations on the band structure of Ag₈SnSe₆ argyrodite / S.V. Syrotyuk, I.V. Semkiv, H.A. Ilchuk, V.M. Shved // Condensed Matter Physics. — 2016. — Т. 19, № 4. — С. 43703: 1–6. — Бібліогр.: 20 назв. — англ.

The electronic energy band spectra, as well as partial and total density of electronic states of the crystal argyrodite Ag₈SnSe₆ have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The one-electron energies have been evaluated using two functionals f...