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Physica B: Condensed MatterVolume 407, Issue 17, 1 September 2012, Pages 3600-3603

Electronic structure and optical properties of TbNi 5-xCu x(Article)(Open Access)

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  • aInstitute of Electrophysics, Amundsena Street 106, 620016 Ekaterinburg, Russian Federation
  • bUral State University, Lenina pr. 51, 620083 Ekaterinburg, Russian Federation
  • cInstitute of Metal Physics, S. Kovalevskoj Street 18, 620990 Ekaterinburg, Russian Federation

Abstract

In this paper we present theoretical investigation of optical conductivity for intermetallic TbNi 5-xCu x series. Within the framework of LSDAU calculations, electronic structure for x=0, 1, 2 is calculated and additionally optical conductivity is obtained. Disorder effects of Cu for Ni substitution on a level of LSDAU densities of states (DOS) are taken into account via averaging over all possible Cu ion positions in the unit cell for given doping level x. Gradual smoothing of optical conductivity structure at 2 eV together with simultaneous intensity growth at 4 eV corresponds to increase of Cu and decrease of Ni content. © 2012 Elsevier B.V. All rights reserved.

Author keywords

Electronic structureOptical propertiesRare-earth compounds

Indexed keywords

Engineering uncontrolled termsConductivity structuresDensities of stateDisorder effectDoping levelsElectronic structure and optical propertiesNi contentTheoretical investigationsUnit cells
Engineering controlled terms:Optical conductivityOptical properties
Engineering main heading:Electronic structure

Funding details

Funding sponsor Funding number Acronym
Russian Foundation for Basic Research11-02-00147,12-02-00286РФФИ
Russian Academy of Sciences12-Π-2-1002РАН

  • 1

    This work is partly supported by RFBR Grants 11-02-00147 and 12-02-00286 and was performed within the framework of the Program of fundamental research of the Russian Academy of Sciences (RAS) “Quantum mesoscopic and disordered structures” ( 12-Π-2-1002 ). IN thanks UB-SB for joint grant.

  • ISSN: 09214526
  • CODEN: PHYBE
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1016/j.physb.2012.05.034
  • Document Type: Article

  Knyazev, Y.V.; Institute of Metal Physics, S. Kovalevskoj Street 18, Russian Federation;
© Copyright 2012 Elsevier B.V., All rights reserved.

Cited by 8 documents

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The Effects of Ru and Rh Substitutions on the Magneto-electronic and Optical Properties of the TbNi5 Intermetallic Compound: An Ab Initio Investigation
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Copper-doping effects in electronic structure and spectral properties of SmNi5
(2015) Low Temperature Physics
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