Band structure of the superconducting MgB2 compound and modeling of related ternary systems / Medvedeva NI,Medvedeva JE,Ivanovskii AL,Zubkov VG,Freeman AJ // JETP LETTERS. - 2001. - V. 73, l. 7. - P. 336-340.

ISSN/EISSN:

0021-3640 / нет данных

Type:

Article

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. (C) 2001 MAIK ``Nauka/ Interperiodica{''}.

Author keywords:

POTENTIAL LMTO CALCULATIONS; ELECTRONIC-PROPERTIES; FIRST-PRINCIPLES; DIBORIDES; STABILITY; BORIDES; METALS

DOI:

10.1134/1.1378114

Web of Science ID:

ISI:000168796400006

Соавторы в МНС:

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Другие поля

Поле	Значение
Publisher	AMER INST PHYSICS
Address	2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
Language	English
Keywords-Plus	POTENTIAL LMTO CALCULATIONS; ELECTRONIC-PROPERTIES; FIRST-PRINCIPLES; DIBORIDES; STABILITY; BORIDES; METALS
Research-Areas	Physics
Web-of-Science-Categories	Physics, Multidisciplinary
ResearcherID-Numbers	Medvedeva, Julia/F-5693-2015
Number-of-Cited-References	12
Usage-Count-Since-2013	18
Journal-ISO	Jetp Lett.
Doc-Delivery-Number	434BZ