Documents disponibles écrits par cet auteur

Contribution à l'étude des propriétés physiques des semi-conducteurs à grand gup / AMRANI BOUHALOUANE

Public ISBD Titre : Contribution à l'étude des propriétés physiques des semi-conducteurs à grand gup Type de document : texte imprimé Auteurs : AMRANI BOUHALOUANE, Auteur Année de publication : 2006 Importance : 77 p. Langues : Anglais (eng) Catégories : Physique:Science de la matière Mots-clés : FPLAPW , high pressure , physical properties ,MgO ,ZnO , SILVER HALIDES Résumé : In this work , we use first-principle calculations based on density functional theory (DFT) within the local density approximation (LDA)and the generalized gradient approximation (GGA) for the exchang and correlation potential to investigate the physical properties of (Mg , Zn)-VI(O) and I(Ag° VII (CI , Br )compounds and their ternary alloys , we have calculated the ground -state energy , the lattice constant , the bulk modulus and its pressure derivative moreover , the electronic structures density of states (DOC ) have benn calculated , on the other hand , an accurate calculation of linear optical functions ( refraction index , and both imaginary and ral parts of the dielectric function ) is performed , the results are compared with previous calculations and experimental measurements , we show that our calculated values compare acceptably well with values reported in the literature we have also studied the structural electronic and thermodynamic properties of Mg Zn –O and Ag C1 Br semiconductor alloy , we analyze composition effect on lattice constants cohesive energy , bulk modulus , bond iconicity , band gap and effective mass , it is observed that bulk modulus and band gap depend non – linearly on alloy composition x whereas lattice constants and cohesive energy follow vegard ‘s law , the microscopic origins of the gap bowing were explained by using the approach of zunger and co- worekers , we have concluded that the band gap energy bowing was mainly caused by the chemical charge –transfer effect , while the volume deformation and the structural , in order to investigate the thermodynamic stability Mg Zn O and AgCI Br alloys we first calculated the excess enthalpy of mixing H as a function of concentration then by using a regular model solution the dependent interaction parameter was obtained from the result of H versus finally by using this value the phase diagram of the alloys was calculated Directeur de thèse : S.HIADSI Contribution à l'étude des propriétés physiques des semi-conducteurs à grand gup [texte imprimé] / AMRANI BOUHALOUANE, Auteur . - 2006 . - 77 p. Langues : Anglais (eng) Catégories : Physique:Science de la matière Mots-clés : FPLAPW , high pressure , physical properties ,MgO ,ZnO , SILVER HALIDES Résumé : In this work , we use first-principle calculations based on density functional theory (DFT) within the local density approximation (LDA)and the generalized gradient approximation (GGA) for the exchang and correlation potential to investigate the physical properties of (Mg , Zn)-VI(O) and I(Ag° VII (CI , Br )compounds and their ternary alloys , we have calculated the ground -state energy , the lattice constant , the bulk modulus and its pressure derivative moreover , the electronic structures density of states (DOC ) have benn calculated , on the other hand , an accurate calculation of linear optical functions ( refraction index , and both imaginary and ral parts of the dielectric function ) is performed , the results are compared with previous calculations and experimental measurements , we show that our calculated values compare acceptably well with values reported in the literature we have also studied the structural electronic and thermodynamic properties of Mg Zn –O and Ag C1 Br semiconductor alloy , we analyze composition effect on lattice constants cohesive energy , bulk modulus , bond iconicity , band gap and effective mass , it is observed that bulk modulus and band gap depend non – linearly on alloy composition x whereas lattice constants and cohesive energy follow vegard ‘s law , the microscopic origins of the gap bowing were explained by using the approach of zunger and co- worekers , we have concluded that the band gap energy bowing was mainly caused by the chemical charge –transfer effect , while the volume deformation and the structural , in order to investigate the thermodynamic stability Mg Zn O and AgCI Br alloys we first calculated the excess enthalpy of mixing H as a function of concentration then by using a regular model solution the dependent interaction parameter was obtained from the result of H versus finally by using this value the phase diagram of the alloys was calculated Directeur de thèse : S.HIADSI

Exemplaires

Code-barres	Cote	Support	Localisation	Section	Disponibilité
8427	02-05-504	version papier	Bibliothèque USTOMB	Thèse de Doctorat	Exclu du prêt