Y 95 Yurieva, E. I. Study of the Structural Stability of LnNbxOy Systems (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) by the Xα Method of Discrete Variation / E. I. Yurieva, O. G. Reznitskikh, V. G. Bamburov // Bulletin of the Russian Academy of Sciences: Physics. - 2009. - Vol. 73, № 7. - P. 1010-1012 : il. - Bibliogr. : p. 1012 (5 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): СТРУКТУРА ЭЛЕКТРОННАЯ -- ЛАНТАНИДЫ -- МЕТОД ДИСКРЕТНОГО ВАРЬИРОВАНИЯ Аннотация: The electronic structure and Ln–O (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) bonding parameters have been calculated by the Xα method of discrete variation taking into account the real structure of LaNb7O12 oxoniobate. It is shown that the experimentally observed tendencies in the change in the oxoniobate stability correlate with the decrease in the average electron–proton binding energy of LnO8 clusters and enhanced repulsion between Ln and O orbitals to the end of the lanthanide series \\\\Expert2\\nbo\\Bulletin of the Russian Academy of Sciences Physics\\2009, V. 73, N 7, P. 1010-1012.pdf |