Published May 1992
| Version v1
Journal article
Chemical bond and induced by thermal atom vibration fluctuations of electron density in YBa2Cu3O-7-x
- 1. Moskovskij Khimiko-Tekhnologicheskij Inst., Moscow (Russian Federation)
Description
Distribution of electron density (ED) in YBa2Cu3O7-x crystals was calculated using the modified statistical method. In therms of deformational ED chemical bond and its dependence on composition x, secondary ordering of oxygen vacancies and distorted lattice, brought about by oxygen atom vibrations in YBa2Cu3O-7-x, were studied. It is shown that chemical interaction between the atoms is of a mixed character: from purely ionic for Y-O and Ba-O bonds to ion-covalent one for Cu-O bonds
Additional details
Additional titles
- Original title (Russian)
- Химическая связ' и вызванные тепловыми колебаниями атомов флуктации электронной плотности в YBa
Publishing Information
- Journal Title
- Zhurnal Fizicheskoj Khimii
- Journal Volume
- 66
- Journal Issue
- 5
- Journal Page Range
- p. 1170-1185.
- ISSN
- 0044-4537
- CODEN
- ZFKHA9
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 25014153
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- BARIUM COMPOUNDS; CHEMICAL BONDS; CRYSTAL STRUCTURE; CUPRATES; ELECTRON DENSITY; ENERGY-LEVEL DENSITY; FLUCTUATIONS; HIGH-TC SUPERCONDUCTORS; INTERATOMIC DISTANCES; LATTICE VIBRATIONS; ORDER PARAMETERS; VACANCIES; YTTRIUM COMPOUNDS
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; COPPER COMPOUNDS; CRYSTAL DEFECTS; DISTANCE; OXYGEN COMPOUNDS; POINT DEFECTS; SUPERCONDUCTORS; TRANSITION ELEMENT COMPOUNDS; VARIATIONS