Published July 1986 | Version v1
Journal article Metadata-only

Energy structure, chemical bond and spectral properties of zirconium dioxide

Creators

  • 1. AN SSSR, Sverdlovsk. Inst. Khimii

Description

Calculations of the electron structure of small clusters for cubic, tetragonal and monoclinic modifications of zirconium dioxide are carried out by the nonempirical method of discrete variation with exchange correlation Gunnarsson-Lundquist potential. Influence of vacancies in cubic ZrO2 on the energy spectrum and optical characteristics of ZrO2 is investigated. The results are compared with X-ray electron and X-ray ZrLB2,15-emission spectra of thin films of zirconium dioxide with the cubic structure

Additional details

Additional titles

Original title (Russian)
Энергетическая структура, химическая связ' и спектральные свойства диоксида циркония

Publishing Information

Journal Title
Zh. Strukt. Khim.
Journal Volume
27
Journal Issue
4
Series
Zh. Strukt. Khim.
Journal Page Range
24-28
ISSN
0136-7463
CODEN
ZSTKA

INIS

Country of Publication
Russian Federation
Country of Input or Organization
USSR
INIS RN
18044910
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
CUBIC LATTICES; ELECTRON SPECTRA; ELECTRONIC STRUCTURE; EMISSION SPECTRA; ENERGY SPECTRA; FILMS; MONOCLINIC LATTICES; OPTICAL PROPERTIES; SOLID CLUSTERS; TETRAGONAL LATTICES; VACANCIES; ZIRCONIUM OXIDES
Descriptors DEC
CHALCOGENIDES; CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; POINT DEFECTS; SPECTRA; TRANSITION ELEMENT COMPOUNDS; ZIRCONIUM COMPOUNDS

Optional Information

Notes
For English translation see the journal Journal of Structural Chemistry (USA).