S 53 Shein, I. R. Effect of Metal Vacancies on the Band Structure of Nb, Zr, and Y Diborides / I. R. Shein, N. I. Medvedeva, A. L. Ivanovskii // Physics of the Solid State. - 2003. - Vol. 45, № 9. - P1617-1621 : il. - Bibliogr. : p. 1621 (25 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ДИБОРИД НИОБИЯ -- ДИБОРИД ЦИРКОНИЯ -- ДИБОРИД ИТТРИЯ Аннотация: The band structure of nonstoichiometric layered diborides Me0.75B2 (Me = Nb, Zr, or Y) is calculated for the first time in the framework of the self-consistent full-potential linearized muffin-tin orbital (FLMTO) method, and the energies of formation of Me vacancies are estimated numerically. It is established that metal vacancies affect the electronic properties and energy states of Group III–V metal diborides in radically different ways. The superconducting properties of these diborides are discussed with due regard for the results obtained Полный текст |