Вид документа : Статья из журнала Шифр издания : 54/B 22 Автор(ы) : Medvedeva N. I., Medvedeva J. E., Ivanovskii A. L., Zubkov V. G., Freeman A. J. Заглавие : Band Structure of the Superconducting MgB2 Compound and Modeling of Related Ternary Systems Место публикации : JETP Letters. - 2001. - Vol. 73, № 7. - С. P. 336-340: il. Примечания : Bibliogr. : p. 340 (12 ref.) ISSN: 0021-3640 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): диборид магния--сверхпроводимость--структура электронная Аннотация: 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 metallike 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 Доп.точки доступа: Medvedeva, N. I.; Медведева Надежда Ивановна; Medvedeva, J. E.; Ivanovskii, A. L.; Ивановский Александр Леонидович; Zubkov, V. G.; Freeman, A. J.