E 27 Effects of lattice deffects on the spectral parameters of yttrium and lanthanum fluorides / M. V. Ryzhkov, N. I. Medvedeva, A. F. Golota, M. Ya. Khodos, V. A. Gubanov // Journal of Structural Chemistry. - 1985. - Vol. 26, № 6. - P.898-502 : il. - Bibliogr. : p. 902 (14 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ФТОРИД ИТТРИЯ -- ФТОРИД ЛАНТАНА -- МЕТОД ДИСКРЕТНОГО ВАРЬИРОВАНИЯ Аннотация: The X-alfa discrete-variation method has been used in calculating the electronic structures of clusters simulating the immediate environments of Y and La atoms in solidstate compounds of YF3 and LaF3 defective in fluorine and containing impurity oxygen atoms. The results are compared with the x-ray electron spectra. The effects of the defects on the excitation energies are considered Полный текст |