ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS

ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS

The electronic structure of Tm and Sm monochalcogenides, SmB<sub>6</sub> and Yb<sub>4</sub>As<sub>3</sub> is theoretically investigated from the first principles, using the fully relativistic Dirac LMTO band structure method. The electronic structure is obtained u...

Full description

Bibliographic Details
Main Authors: V.N.Antonov, A.P.Shpak, A.N.Yaresko
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2004-01-01
Series:Condensed Matter Physics
Subjects:
strongly correlated systems
optics
band structure
Online Access:http://dx.doi.org/10.5488/CMP.7.2.211
id doaj-b6492a776c0041e290d581c9b56cc663
record_format Article
spelling doaj-b6492a776c0041e290d581c9b56cc6632020-11-25T01:44:23ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2004-01-017221124610.5488/CMP.7.2.211ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMSV.N.AntonovA.P.ShpakA.N.YareskoThe electronic structure of Tm and Sm monochalcogenides, SmB<sub>6</sub> and Yb<sub>4</sub>As<sub>3</sub> is theoretically investigated from the first principles, using the fully relativistic Dirac LMTO band structure method. The electronic structure is obtained using the local spin-density approximation (LSDA), as well as the so-called LSDA+U approach. While the standard LSDA approach is incapable of correctly describing the electronic structure of such materials due to the strong on-site Coulomb repulsion, the LSDA+U approach is remarkably accurate in providing a detailed agreement with experiment for a number of properties.http://dx.doi.org/10.5488/CMP.7.2.211strongly correlated systemsopticsband structure
collection DOAJ
language English
format Article
sources DOAJ
author V.N.Antonov
A.P.Shpak
A.N.Yaresko
spellingShingle V.N.Antonov
A.P.Shpak
A.N.Yaresko
ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS
Condensed Matter Physics
strongly correlated systems
optics
band structure
author_facet V.N.Antonov
A.P.Shpak
A.N.Yaresko
author_sort V.N.Antonov
title ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS
title_short ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS
title_full ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS
title_fullStr ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS
title_full_unstemmed ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS
title_sort electronic structure of mixed valent systems
publisher Institute for Condensed Matter Physics
series Condensed Matter Physics
issn 1607-324X
publishDate 2004-01-01
description The electronic structure of Tm and Sm monochalcogenides, SmB<sub>6</sub> and Yb<sub>4</sub>As<sub>3</sub> is theoretically investigated from the first principles, using the fully relativistic Dirac LMTO band structure method. The electronic structure is obtained using the local spin-density approximation (LSDA), as well as the so-called LSDA+U approach. While the standard LSDA approach is incapable of correctly describing the electronic structure of such materials due to the strong on-site Coulomb repulsion, the LSDA+U approach is remarkably accurate in providing a detailed agreement with experiment for a number of properties.
topic strongly correlated systems
optics
band structure
url http://dx.doi.org/10.5488/CMP.7.2.211
work_keys_str_mv AT vnantonov electronicstructureofmixedvalentsystems
AT apshpak electronicstructureofmixedvalentsystems
AT anyaresko electronicstructureofmixedvalentsystems
_version_ 1725028945117577216

Similar Items