B 22 Bannikov, V. V. Structural, electronic, and magnetic properties of CaCNi3, SrCNi3, and BaCNi3 antiperovskites in comparison to superconducting MgCNi3 / V. V. Bannikov, I. R. Shein, A. L. Ivanovskii // Journal of Structural Chemistry. - 2010. - Vol. 51, № 1. - P170-172 : il. - Bibliogr. : p. 172 (10 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): АНТИПЕРОВСКИТЫ -- МАГНЕТИЗМ -- МОДЕЛИРОВАНИЕ Аннотация: Within the first principle FLAPW-GGA band method we predict the structural, electronic, and magnetic properties of CaCNi3, SrCNi3, and BaCNi3 hypothetical antiperovskites. The results are discussed in comparison to the MgCNi3 isostructural superconductor Полный текст |