THORIUM COMPOUNDS WITH NON-METALS: ELECTRONIC STRUCTURE, CHEMICAL BOND, AND PHYSICOCHEMICAL PROPERTIES
I. R. Shein, A. L. Ivanovskii
Keywords: binary and ternary thorium-containing phases, electronic structure, chemical bond, computer-aided materials science
Pages: 360-382
Abstract
The current state of research on the nature of the chemical bond and the physicochemical properties of binary Th-X (X = H, B, C, N, O, P, S, As, Se, Sb) and ternary (carbonitrides, thorates, and silicates) thorium compounds by modern ab initio methods of the band structure theory is reviewed. The possibilities of the ab initio band structure methods in describing the structural states, phase stability, elasticity characteristics, X-ray emission, absorption, and photoelectron spectra of thorium-containing systems are discussed.
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