Jahn–Teller Lattice Distortions and Asymmetric Electron Density Distribution in the Structure of TmB12 Dodecaboride in the Temperature Range of 85–293 K

The structure of single-crystal dodecaboride TmB 12 , which possess metallic properties, has been studied by X-ray diffraction at nine temperatures in the range of 85–293 K. Jahn–Teller distortions of the cubic lattice are revealed. They are found to cause an asymmetric electron density distribution...

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Bibliographic Details
Published inCrystallography reports Vol. 64; no. 5; pp. 737 - 742
Main Authors Dudka, A. P., Khrykina, O. N., Bolotina, N. B., Shitsevalova, N. Yu
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.09.2019
Springer Nature B.V
Subjects
Boron
Conduction electrons
Crystal structure
Crystallography and Scattering Methods
Cubic lattice
Density distribution
Displacements (lattice)
Electron density
Electrons
Jahn-Teller effect
Physics
Physics and Astronomy
Single crystals
Skewed distributions
Specific heat
Structure of Inorganic Compounds
Thulium
X-ray diffraction
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Summary:The structure of single-crystal dodecaboride TmB 12 , which possess metallic properties, has been studied by X-ray diffraction at nine temperatures in the range of 85–293 K. Jahn–Teller distortions of the cubic lattice are revealed. They are found to cause an asymmetric electron density distribution in crystal. Static components of atomic displacements are selected, and characteristic Einstein and Debye temperatures are determined for thulium and boron atoms, respectively. Temperature dependences of interatomic distances are obtained. The problem of localizing conduction electrons by means of X-ray diffraction analysis is stated.
ISSN:1063-7745
1562-689X
DOI:10.1134/S1063774519050079