Structural, electronic and optical properties of Ag-based oxides XAgO (X= Li and Na): An ab initio study
| dc.contributor.author | MOUSSA, Hizia | |
| dc.date.accessioned | 2021-07-14T07:54:10Z | |
| dc.date.available | 2021-07-14T07:54:10Z | |
| dc.date.issued | 2021-06-23 | |
| dc.description.abstract | Ab initio total energy calculations were performed to study in details the structural, electronic and optical properties of Ag-based ternary oxides BAgO (A B= Li and Na). Optimized atomic coordinates and lattice constants agree well with the existing experimental and theoretical data. Band structure, total and site-projected l-decomposed densities of states, charge transfers and charge density distribution maps were obtained; analyzed and compared with the available theoretical data. Complex dielectric function, refractive index, extinction coefficient, reflectivity and loss function spectra were calculated with an incident radiation polarized parallel to both [100] and [001] crystalline directions | en_US |
| dc.identifier.uri | https://repository.univ-msila.dz/handle/123456789/24946 | |
| dc.language.iso | fr | en_US |
| dc.relation.ispartofseries | PH/MAT/12/2021/156; | |
| dc.subject | Structural, electronic and optical properties of Ag-based oxides XAgO (X= Li and Na): An ab initio study | en_US |
| dc.title | Structural, electronic and optical properties of Ag-based oxides XAgO (X= Li and Na): An ab initio study | en_US |
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