Band Structure of the Superconducting MgB₂ Compound and Modeling of Related Ternary Systems

Author

Nadezhda I. Medvedeva
Julia E. Medvedeva, Missouri University of Science and TechnologyFollow
Alexander L. Ivanovskii
Vladimir G. Zubkov
Arthur J. Freeman

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.

Recommended Citation

N. I. Medvedeva et al., "Band Structure of the Superconducting MgB₂ Compound and Modeling of Related Ternary Systems," Pis'ma v Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki, vol. 73, no. 7, pp. 336 - 340, Maik Nauka-Interperiodica Publishing, Apr 2001.

The definitive version is available at https://doi.org/10.1134/1.1378114

Department(s)

Physics

International Standard Serial Number (ISSN)

0021-3640

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2001 Maik Nauka-Interperiodica Publishing, All rights reserved.

Publication Date

01 Apr 2001