Published June 1991
| Version v1
Journal article
Modelling of YBa2Cu3O7 structure in the presence of iron substitutional admixture
- 1. Kazakhskij Politekhnicheskij Inst., Alma-Ata (Kazakhstan)
Description
Method of molecular dynamics is used for modelling YBa2(Cu1-x)3O7+δ (0.04 < x < 0.2) structure, various character of iron ion localization is considered. In course of modelling it is detected that with increase of concentration of iron substitutional admixture transition from rhombic structure, in which a < b, takes place not to tetragonal one, but to other rhombic structure, where a > b. At low iron concentrations substitution of separate copper ions in Cu(1) position is more efficient from energy point of view
Additional details
Additional titles
- Original title (Russian)
- Моделирование структуры YBa
Publishing Information
- Journal Title
- Sverkhprovodimost': Fizika, Khimiya, Tekhnika
- Journal Volume
- 4
- Journal Issue
- 6
- Series
- Sverkhprovod.: Fiz. Khim. Tekh.
- Journal Page Range
- 1084-1087
- ISSN
- 0235-8964
- CODEN
- SFKTE
INIS
- Country of Publication
- USSR
- Country of Input or Organization
- USSR
- INIS RN
- 23082601
- Subject category
- S36: MATERIALS SCIENCE; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ADDITIVES; BARIUM OXIDES; COPPER OXIDES; CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL-PHASE TRANSFORMATIONS; HIGH-TC SUPERCONDUCTORS; IRON OXIDES; LATTICE PARAMETERS; QUANTITY RATIO; SIMULATION; YTTRIUM OXIDES
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; BARIUM COMPOUNDS; CHALCOGENIDES; COPPER COMPOUNDS; CRYSTAL STRUCTURE; IRON COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; PHASE TRANSFORMATIONS; SUPERCONDUCTORS; TRANSITION ELEMENT COMPOUNDS; YTTRIUM COMPOUNDS