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A Study of the Electronic Structure of Rare Earth Hexaborides
Author(s) -
Grushko Yu. S.,
Paderno Yu. B.,
Ya. Mishin K.,
Molkanov L. I.,
Shadrina G. A.,
Konovalova E. S.,
Dudnik E. M.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221280225
Subject(s) - valence (chemistry) , ion , rare earth , diffraction , electronic structure , materials science , difluoride , atomic physics , lanthanide , crystallography , chemistry , physics , inorganic chemistry , mineralogy , computational chemistry , optics , organic chemistry
X‐ray lineshifts of rare earth elements in the hexaborides of La, Ce, Pr, Nd, Sm, Eu, Gd, Yb, and Y relative to the corresponding tri‐ or difluorides are measured by the crystal diffraction method. The experimental shifts are compared with the values obtained in relativistic self‐consistent field calculations in the effective free ion approximation. The hexaborides of La, Ce, Pr, Nd, and Gd are shown to have 4f n ‐15d configuration (4d for Y), and those of Eu and Yb, 4f n configuration. The shifts obtained for Sm in SmB 6 support the suggestion that Sm is here in an intermediate valence state and is best described by the 4f 6− x 5d x configuration with x = 0.615 ± 0.007.