Electronic, elastic, thermodynamical, and dynamical properties of the rock-salt compounds LaAs and LaP

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dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolakoğlu, Kemal
dc.contributor.authorÖzışık, Hacı
dc.contributor.authorÇiftçi, Y.Ö.
dc.date.accessioned2024-10-15T13:39:11Z
dc.date.available2024-10-15T13:39:11Z
dc.date.issued2007
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractWe have studied the structural, elastic, electronic, thermodynamical and vibrational properties of LaAs and LaP in the rock-salt (B1) structure by performing ab initio calculations within the local-density approximation (LDA). Some basic physical properties, such as the lattice constant, bulk modulus, cohesive energy, second-order elastic constants (Cij), the electronic band structures, and phonon frequencies, are calculated and compared with the available experimental and other theoretical values. In order to gain further information, we have, also, predicted the Young's modulus, Poisson's ratio (?), anisotropy factor (A), sound velocities, and Debye temperature (?D), and reasonable values have been found. We also present the temperature-dependent behaviour of some thermodynamical properties such as entropy and heat capacity for these compounds in the B1 phase.
dc.identifier.doi10.1088/0953-8984/19/43/436204
dc.identifier.issue43en_US
dc.identifier.scopusqualityN/A
dc.identifier.urihttps:/dx.doi.org/10.1088/0953-8984/19/43/436204
dc.identifier.urihttps://hdl.handle.net/20.500.12451/12552
dc.identifier.volume19en_US
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIOP Publishing
dc.relation.ispartofJournal of Physics: Condensed Matter
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectElectronic
dc.subjectElastic
dc.subjectThermodynamical
dc.titleElectronic, elastic, thermodynamical, and dynamical properties of the rock-salt compounds LaAs and LaP
dc.typeArticle

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