The effects of strong correlations on the band structure of Ag_8SnSe_6 argyrodite

The effects of strong correlations on the band structure of Ag_8SnSe_6 argyrodite

The electronic energy band spectra, as well as partial and total density of electronic states of the crystal argyrodite Ag_8SnSe_6 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...

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Bibliographic Details
Main Authors:	S.V. Syrotyuk, I.V. Semkiv, H.A. Ilchuk, V.M. Shved
Format:	Article
Language:	English
Published:	Institute for Condensed Matter Physics 2016-12-01
Series:	Condensed Matter Physics
Subjects:	electronic structure calculations strongly correlated electrons exact exchange for correlated electrons PAW method chalcogenides argyrodite
Online Access:	http://dx.doi.org/10.5488/CMP.19.43703

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