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Les phénomenes physique des materiaux by Ameri, Ibrahim

Les phénomenes physique des materiaux

by Ibrahim Ameri
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Book cover type: Paperback
  • ISBN13: 9786138465133
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Editions Universitaires Europeennes
  • Publisher Imprint: Editions Universitaires Europeennes
  • Publication Date:
  • Pages: 92
  • Original Price: GBP 52.98
  • Language: French
  • Edition: N/A
  • Item Weight: 137 grams
  • BISAC Subject(s): Chemistry / Physical & Theoretical

Ce travail de recherche porte sur l'�tude th�orique des propri�t�s structurales et �lectroniques de compos�s semi-conducteurs IV-IV (PbC, PbSi, PbGe, PbSn), encore peu �tudi�s exp�rimentalement. L'objectif est de mieux comprendre leur stabilit� et leur potentiel dans des applications opto�lectroniques. La m�thode utilis�e est celle des ondes planes augment�es lin�aris�es � potentiel total (FP-LAPW), int�gr�e dans le code WIEN2k, combin�e � la th�orie de la fonctionnelle de la densit� (DFT) avec l'approximation GGA-PBE pour les �changes-corr�lations.Le travail commence par une revue des approximations de Born-Oppenheimer, Hartree-Fock et Kohn-Sham, avant de se concentrer sur les th�or�mes de Hohenberg-Kohn. L'approche permet le calcul de l'�nergie totale, de la structure de bande et de la densit� d'�tats des compos�s �tudi�s. Les structures cristallines consid�r�es incluent les phases NaCl, CsCl, ZB, WZ, NiAs, et t�tragonale.Les r�sultats r�v�lent que, malgr� leur instabilit� thermodynamique (enthalpie de formation positive), certains de ces compos�s pr�sentent une stabilit� m�canique et dynamique int�ressante, notamment dans la phase zinc-blende.

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