Band structure of the superconducting MgB2 compound and modeling of related ternary systems

N. I. Medvedeva, J. E. Medvedeva, A. L. Ivanovskiǐ, V. G. Zubkov, Arthur J Freeman

Research output: Contribution to journalArticle

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Abstract

Band structure of a novel superconductor - magnesium diboride - is studied by the self-consistent FP-LMTO method. Density of states near the Fermi level of MgB2 and its electronic properties are governed by the metal-like boron 2p orbitals in the planar network of boron atoms. The modification of the band structure of MgB2 upon doping the boron (with Be, C, N, and O substitutional impurities) and the magnesium (with Be, Ca, Li, and Na substitutional impurities) sublattices or upon the introduction of structural vacancies (boron nonstoichiomety) is analyzed. The electronic structures of MgB2 and hypothetical CaB2 are also studied as functions of pressure.

Original languageEnglish
Pages (from-to)336-340
Number of pages5
JournalJETP Letters
Volume73
Issue number7
DOIs
Publication statusPublished - Apr 10 2001

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ternary systems
boron
magnesium
impurities
sublattices
electronic structure
orbitals
electronics
metals
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Band structure of the superconducting MgB2 compound and modeling of related ternary systems. / Medvedeva, N. I.; Medvedeva, J. E.; Ivanovskiǐ, A. L.; Zubkov, V. G.; Freeman, Arthur J.

In: JETP Letters, Vol. 73, No. 7, 10.04.2001, p. 336-340.

Research output: Contribution to journalArticle

Medvedeva, N. I. ; Medvedeva, J. E. ; Ivanovskiǐ, A. L. ; Zubkov, V. G. ; Freeman, Arthur J. / Band structure of the superconducting MgB2 compound and modeling of related ternary systems. In: JETP Letters. 2001 ; Vol. 73, No. 7. pp. 336-340.
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