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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Үндсэн зохиолчид:	S.V. Syrotyuk, I.V. Semkiv, H.A. Ilchuk, V.M. Shved
Формат:	Artigo
Хэл сонгох:	Inglês
Хэвлэсэн:	Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2016-12-01
Цуврал:	Condensed Matter Physics
Нөхцлүүд:	electronic structure calculations strongly correlated electrons exact exchange for correlated electrons PAW method chalcogenides argyrodite
Онлайн хандалт:	http://dx.doi.org/10.5488/CMP.19.43703
Шошгууд:	Шошго нэмэх Шошго байхгүй, Энэхүү баримтыг шошголох эхний хүн болох!