Jahn–Teller Lattice Distortions and Asymmetric Electron Density Distribution in the Structure of TmB12 Dodecaboride in the Temperature Range of 85–293 K
- Autores: Dudka A.1,2, Khrykina O.1,2, Bolotina N.1, Shitsevalova N.3
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Afiliações:
- Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” Russian Academy of Sciences
- Prokhorov General Physics Institute, Russian Academy of Sciences
- Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine
- Edição: Volume 64, Nº 5 (2019)
- Páginas: 737-742
- Seção: Structure of Inorganic Compounds
- URL: https://journals.rcsi.science/1063-7745/article/view/194186
- DOI: https://doi.org/10.1134/S1063774519050079
- ID: 194186
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Resumo
The structure of single-crystal dodecaboride TmB12, 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.
Sobre autores
A. Dudka
Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of Sciences; Prokhorov General Physics Institute, Russian Academy of Sciences
Autor responsável pela correspondência
Email: dudka@crys.ras.ru
Rússia, Moscow, 119333; Moscow, 119991
O. Khrykina
Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of Sciences; Prokhorov General Physics Institute, Russian Academy of Sciences
Email: dudka@crys.ras.ru
Rússia, Moscow, 119333; Moscow, 119991
N. Bolotina
Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of Sciences
Email: dudka@crys.ras.ru
Rússia, Moscow, 119333
N. Shitsevalova
Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine
Email: dudka@crys.ras.ru
Ucrânia, Kyiv, 03142