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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2001, Volume 73, Issue 7, Pages 378–382
(Mi jetpl4353)
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This article is cited in 14 scientific papers (total in 14 papers)
CONDENSED MATTER
Band structure of the superconducting MgB$_2$ compound and modeling of related ternary systems
N. I. Medvedevaa, Yu. E. Medvedevab, A. L. Ivanovskiia, V. G. Zubkova, A. J. Freemanb a Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg
b Department of Physics and Astronomy, Northwestern University, Evanston, IL
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 MgB$_2$ 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 MgB$_2$ 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 MgB$_2$ and hypothetical CaB$_2$ are also studied as functions of pressure.
Received: 22.02.2001
Citation:
N. I. Medvedeva, Yu. E. Medvedeva, A. L. Ivanovskii, V. G. Zubkov, A. J. Freeman, “Band structure of the superconducting MgB$_2$ compound and modeling of related ternary systems”, Pis'ma v Zh. Èksper. Teoret. Fiz., 73:7 (2001), 378–382; JETP Letters, 73:7 (2001), 336–340
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https://www.mathnet.ru/eng/jetpl4353 https://www.mathnet.ru/eng/jetpl/v73/i7/p378
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Abstract page: | 128 | Full-text PDF : | 47 | References: | 1 |
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