Study of Fundamental Physical Properties of the Cubic Perovskite - BiGaO3- / Abdelkader Ladjadj

Public ISBD Titre : Study of Fundamental Physical Properties of the Cubic Perovskite - BiGaO3- Type de document : document électronique Auteurs : Abdelkader Ladjadj, Auteur ; Reffas , mounir, Directeur de thèse Editeur : Setif:UFA Année de publication : 2024 Importance : 1 vol (55 f.) Format : 29 cm Langues : Anglais (eng) Catégories : Thèses & Mémoires:Physique Mots-clés : A. BiGaO3 B. PP-PW Method C. Elastic constants C. Electronic properties C. Optical properties C. Chemical bonding. Index. décimale : 530 - Physique Résumé : We report first principles study of structural, elastic, electronic and optical properties of the cubic perovskite-type BiGaO3 by using the pseudopotential plane waves method within the local density approximation. The calculated structural parameters are in good agreement with previous calculations. The elastic constants and their pressure dependence are calculated using the static finite strain technique. A linear pressure dependence of the elastic stiffnesses is found. Band structures show that BiGaO3 is an indirect band gap between the O-2p and Bi-6p states. The density of stares and Mulliken charge analysis shows that Ga-O bond is typically covalent with a strong hybridization as well as Bi-O one that has a significant ionic character. Furthermore, in order to understand the optical properties of BiGaO3, the dielectric function, absorption coefficient, refractive index, extinction coefficient, optical reflectivity, electron energy loss and photoconductivity were calculated for radiation up to 40 eV. Note de contenu : Côte titre : MAPH/0638 Study of Fundamental Physical Properties of the Cubic Perovskite - BiGaO3- [document électronique] / Abdelkader Ladjadj, Auteur ; Reffas , mounir, Directeur de thèse . - [S.l.] : Setif:UFA, 2024 . - 1 vol (55 f.) ; 29 cm. Langues : Anglais (eng) Catégories : Thèses & Mémoires:Physique Mots-clés : A. BiGaO3 B. PP-PW Method C. Elastic constants C. Electronic properties C. Optical properties C. Chemical bonding. Index. décimale : 530 - Physique Résumé : We report first principles study of structural, elastic, electronic and optical properties of the cubic perovskite-type BiGaO3 by using the pseudopotential plane waves method within the local density approximation. The calculated structural parameters are in good agreement with previous calculations. The elastic constants and their pressure dependence are calculated using the static finite strain technique. A linear pressure dependence of the elastic stiffnesses is found. Band structures show that BiGaO3 is an indirect band gap between the O-2p and Bi-6p states. The density of stares and Mulliken charge analysis shows that Ga-O bond is typically covalent with a strong hybridization as well as Bi-O one that has a significant ionic character. Furthermore, in order to understand the optical properties of BiGaO3, the dielectric function, absorption coefficient, refractive index, extinction coefficient, optical reflectivity, electron energy loss and photoconductivity were calculated for radiation up to 40 eV. Note de contenu : Côte titre : MAPH/0638

Exemplaires (1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
MAPH/0638	MAPH/0638	Mémoire	Bibliothéque des sciences	Anglais	Disponible Disponible

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