Published September 2010
| Version v1
Journal article
Structural, Electronic and Elastic Properties of Cubic Perovskites SrSnO3 and SrZrO3 under Hydrostatic Pressure Effect
- 1. Department of Physics, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China)
Description
Using the plane-wave pesudopotential (PWPP) method within the generalized gradient approximation (GGA), we investigate the hydrostatic pressure induced effect on the structural, electronic and elastic properties of cubic perovskites SrSnO3 and SrZrO3. The pressure dependence of the lattice constants, some indirect and direct band gaps, the upper valence bandwidths, the elastic stiffness constants and the aggregate elastic moduli, as well as the Debye temperature are investigated. Our calculated ground-state results are in good agreement with the available experimental and theoretical data
Availability note (English)
Available from http://dx.doi.org/10.1088/0256-307X/27/9/096201Additional details
Identifiers
Publishing Information
- Journal Title
- Chinese Physics Letters
- Journal Volume
- 27
- Journal Issue
- 9
- Journal Page Range
- [4 p.]
- ISSN
- 0256-307X
- CODEN
- CPLEEU
INIS
- Country of Publication
- China
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45003164
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- APPROXIMATIONS; CUBIC LATTICES; DEBYE TEMPERATURE; ELASTICITY; ELECTRONIC STRUCTURE; ENERGY GAP; FLEXIBILITY; GROUND STATES; LATTICE PARAMETERS; POTENTIALS; PRESSURE DEPENDENCE; STANNATES; STRONTIUM COMPOUNDS; VALENCE; WAVE PROPAGATION; YOUNG MODULUS; ZIRCONATES
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; ENERGY LEVELS; MECHANICAL PROPERTIES; OXYGEN COMPOUNDS; TENSILE PROPERTIES; TIN COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; ZIRCONIUM COMPOUNDS