Published August 2005
| Version v1
Journal article
Study of the atomic and electronic structure of the La0,5 Li0,5 TiO3 ionic compound
- 1. Institut magnetizma, Kyiv (Ukraine)
Description
We have studied the electronic structure of the La0,5 Li0,5 TiO3 ionic compound using the FLAPW first-principle method. We performed the total energy calculations for a number of ordered crystal structures having different La and Li atoms distributions which simulate this compound. It is shown that the ordered structure with alternating La and Li atomic layers is more favorable energetically
Additional details
Additional titles
- Original title (Russian)
- Исследование атомной и электронной структуры ионного проводника Ла
Publishing Information
- Journal Title
- Ukrayins'kij Fyizichnij Zhurnal (Kiev)
- Journal Volume
- 50
- Journal Issue
- no.8A
- Journal Page Range
- p. 37-44
- ISSN
- 0372-400X
INIS
- Country of Publication
- Ukraine
- Country of Input or Organization
- Ukraine
- INIS RN
- 37025107
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S36: MATERIALS SCIENCE;
- Descriptors DEI
- ATOMS; ELECTRONIC STRUCTURE; EMISSION SPECTRA; LANTHANUM COMPOUNDS; LATTICE PARAMETERS; LITHIUM COMPOUNDS; LITHIUM IONS; OXIDES; TITANIUM COMPOUNDS; VACANCIES; X-RAY DIFFRACTION
- Descriptors DEC
- ALKALI METAL COMPOUNDS; CHALCOGENIDES; CHARGED PARTICLES; COHERENT SCATTERING; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; DIFFRACTION; IONS; OXYGEN COMPOUNDS; POINT DEFECTS; RARE EARTH COMPOUNDS; SCATTERING; SPECTRA; TRANSITION ELEMENT COMPOUNDS