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