Effect of pressure on the global and local properties of cubic perovskite crystals
| dc.contributor.author | Ouahrani, Tarik | en_US |
| dc.contributor.author | Merad Boudia, I | en_US |
| dc.contributor.author | Baltache, H | en_US |
| dc.contributor.author | Khenata, R | en_US |
| dc.contributor.author | Bentalha, Z | en_US |
| dc.date.accessioned | 2013-04-21T14:47:22Z | en_US |
| dc.date.available | 2013-04-21T14:47:22Z | en_US |
| dc.date.issued | 2011-08 | en_US |
| dc.description | PHYSICA SCRIPTA, ISSN : 0031-8949, DOI: 10.1088/0031-8949/84/02/025704, Issue : 2, Volume :84, AOUT 2011. | en_US |
| dc.description.abstract | The influence of pressure on the structural, elastic, thermal and bonding properties of four perovskite-type oxides AMO3 is studied from the point of view of the quantum theory of atoms in molecules. Ab initio investigations are performed by means of the full-potential linear augmented plane-wave method as implemented in the wien2k code. The integrated basin charges resulting from the topological analysis of electronic density provide a partition of the bulk modulus and compressibility into atomic contributions. Special attention is paid to the nonlinear behaviour of the local bonding properties. | en_US |
| dc.identifier.issn | 0031-8949 | en_US |
| dc.identifier.uri | https://dspace.univ-tlemcen.dz/handle/112/1812 | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | University of Tlemcen | en_US |
| dc.title | Effect of pressure on the global and local properties of cubic perovskite crystals | en_US |
| dc.type | Article | en_US |