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Structures Magnétiques des Pérovskites de type ABC3 Etude du premier principe

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dc.contributor.author BENAISSA CHERIF Youcef
dc.date.accessioned 2018-11-27T05:54:43Z
dc.date.available 2018-11-27T05:54:43Z
dc.date.issued 2018-07-03
dc.identifier.uri http://e-biblio.univ-mosta.dz/handle/123456789/2682
dc.description.abstract The calculation of the electronic structure, the optical, thermodynamic and elastic properties of XThO3 (X = Ca, Sr and Ba) in cubic phases are studied using the FP-LAPW method with the LDA and GGA approximations, in addition, we used the mBJ function which gives larger gaps of the band gap energy close to the experimental values, The electronic structures and optical properties of BaYO3 (Y = Th, Dy) were studied using the LSDA, LSDA + U and mBJ methods. The inclusion of Hubbard U ions from Dy gives significant effects on the electronic density of states, the structure of the energy band and the magnetic moment. We also calculated the total energies of the NM, FM, A-AFM, C-AFM and G-AFM configurations of BaDyO3 compound. en_US
dc.language.iso fr en_US
dc.title Structures Magnétiques des Pérovskites de type ABC3 Etude du premier principe en_US
dc.type Thesis en_US


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