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dc.contributor.authorLIDJICI, H
dc.contributor.authorDNIDNI, Y
dc.contributor.authorLAGOUN, B
dc.date.accessioned2017-06-14T11:45:37Z
dc.date.available2017-06-14T11:45:37Z
dc.date.issued2013-12-16
dc.identifier.urihttp://hdl.handle.net/123456789/135555
dc.description.abstractAb initio studies of structuraland electronic properties of Bismuth sodium titanate (Bi0.5Na0.5)TiO3 (abbreviated as BNT) arepresented using pseudo-potential plane wave method within the density functional theory (DFT) frameworks as implemented in CASTEP package. General gradient approximation (GGA-PBE) is used for electronic exchange correlation potential energy. The calculatedequilibrium lattice parameters remain relatively in good agreement with the available experimental data and the gap energy Eg=3.72eVfr_FR
dc.language.isoenfr_FR
dc.publisherUniversité des Frères Mentouri Constantinefr_FR
dc.subjectAb initiofr_FR
dc.subjectBNTfr_FR
dc.subjectstructure and electronic propertiesfr_FR
dc.titleAB INITIO CALCULATIONS FOR THE BISMUTH SODIUM TITANATE (Bi0.5 Na0.5)TiO3fr_FR
dc.typeArticlefr_FR


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