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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...

Deskribapen osoa

Gorde:
Egile Nagusiak: S.V. Syrotyuk, I.V. Semkiv, H.A. Ilchuk, V.M. Shved
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2016-12-01
Saila:Condensed Matter Physics
Gaiak:
electronic structure calculations
strongly correlated electrons
exact exchange for correlated electrons
PAW method
chalcogenides
argyrodite
Sarrera elektronikoa:http://dx.doi.org/10.5488/CMP.19.43703
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