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The Electronic Band Structures of Superconducting MgB 2 and Related Borides CaB 2 , MgB 6 and CaB 6
Author(s) -
Okatov S.V.,
Ivanovskii A.L.,
Medvedeva Yu.E.,
Medvedeva N.I.
Publication year - 2001
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(200105)225:1<r3::aid-pssb99993>3.0.co;2-s
Subject(s) - solid state , library science , physics , engineering physics , computer science
The discovery of superconductivity for magnesium diboride in January 2001 [1] may become an important stage in the development of superconductivity theory. As distinct from HTSC, MgB2 has a simple composition and structure (AlB2-type, space group P6/mmm, Z 1⁄4 1). The transition temperature for MgB2 (TC 40 K) is an intermediate one, which exceeds more than twice the record values of TC for binary B1 or A15-type intermetallic superconductors [2]. The first-principle band structure calculation of MgB2 was carried out by the authors [3] using the FLMTO method. It was shown that the energy bands of MgB2 are formed due to strong B–B interactions (in honeycomb layers of boron atoms). The density of states (DOS) profile exhibits a B 2p-like DOS peak at the Fermi level. The purpose of the present work is to study in detail the electronic band structure of MgB2 in comparison with that of related borides: CaB6 and hypothetical CaB2 and MgB6.