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

Autor:	Nadezhda B. Bolotina, N. Yu. Shitsevalova, Alexander P. Dudka, O. N. Khrykina
Rok vydání:	2019
Předmět:	Electron density Materials science Condensed matter physics Jahn–Teller effect Physics::Optics General Chemistry Electron Crystal structure Condensed Matter Physics Crystal symbols.namesake X-ray crystallography Physics::Atomic and Molecular Clusters symbols General Materials Science Debye model Debye
Zdroj:	Crystallography Reports. 64:737-742
ISSN:	1562-689X 1063-7745
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3ca81578b53a71e467e540aea94fb1ca https://doi.org/10.1134/s1063774519050079 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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