S 53 Shein, I. R. Electronic properties of superconducting ternary alloys (Ca,Sr,Ba)(Ga1-xSix)2 with AlB2-like structure [Текст] / I. R. Shein, N. I. Medvedeva, A. L. Ivanovskii // Computational Materials Science. - 2006. - Vol. 36, № 1-2. - С. 203-206. - Bibliogr. : p. 205-206 (16 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ЭЛЕКТРОННАЯ СТРУКТУРА -- СИЛИЦИДЫ -- СВЕРХПРОВОДИМОСТЬ Аннотация: The electronic properties of superconducting ternary silicides M(Ga1-xSix)2 with M = Ca, Sr and Ba are studied as a function of x (0.35 6<= x<= 6 0.75) by using density functional calculations within the Korringa–Kohn–Rostoker coherent potential—atomic sphere approximation (KKR-CPA-ASA). Our results show that the changes of density of states from x at the Fermi level in Ca-, Sr- and Ba-containing systems are completely different and are mostly dictated by the Ga and Si states Полный текст |