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

doi:10.1134/1.1378114

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

Northwestern University

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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 language	English
Pages (from-to)	336-340
Number of pages	5
Journal	JETP Letters
Volume	73
Issue number	7
DOIs	https://doi.org/10.1134/1.1378114
Publication status	Published - Apr 10 2001

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ASJC Scopus subject areas

Physics and Astronomy(all)

Cite this

Medvedeva, N. I., Medvedeva, J. E., Ivanovskiǐ, A. L., Zubkov, V. G., & Freeman, A. J. (2001). Band structure of the superconducting MgB₂ compound and modeling of related ternary systems. JETP Letters, 73(7), 336-340. https://doi.org/10.1134/1.1378114

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