Electronic and thermodynamic properties of lanthanum tetraboride on low-temperature experimental and ab-initio calculation data

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dc.contributor.authorSürücü, G.
dc.contributor.authorDeligöz, Engin
dc.contributor.authorShein, I. R.
dc.contributor.authorMatovnikov, A., V
dc.contributor.authorMitroshenkov, N., V
dc.contributor.authorMorozov, A., V
dc.contributor.authorNovikov, V. V.
dc.contributor.authorÖzışık, Hacı
dc.date.accessioned2021-05-03T10:13:00Z
dc.date.available2021-05-03T10:13:00Z
dc.date.issued2021
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description*Özışık, Hacı ( Aksaray, Yazar ) *Deligöz, Engin ( Aksaray, Yazar )
dc.description.abstractThe characteristics of the electronic and phonon subsystems of lanthanum tetraboride (LaB4) studied using first-principles calculations. The calculated lattice parameters, as well as the positions of atomic, are satisfactorily consistent with the experimental data. The partial densities of states, band structure, Fermi surface, phonon dispersion curve of LaB4 are calculated and analysed. The reliability of the calculation results is confirmed by a satisfactory agreement between the calculated thermodynamic parameters of LaB4 (temperature changes in heat capacity, entropy, Gruneisen parameter and volume modulus) with experimental data.
dc.identifier.doi10.1016/j.jallcom.2020.158020
dc.identifier.endpage-en_US
dc.identifier.issue-en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage-en_US
dc.identifier.urihttps:/dx.doi.org/10.1016/j.jallcom.2020.158020
dc.identifier.urihttps://hdl.handle.net/20.500.12451/7925
dc.identifier.volume862en_US
dc.identifier.wosWOS:000624934000019
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Alloys and Compounds
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectTetraborides
dc.subjectFirst-principles Calculations
dc.subjectElectronic Properties
dc.subjectPhonon Spectrum
dc.subjectThermodynamic Properties
dc.subjectLow Temperature
dc.titleElectronic and thermodynamic properties of lanthanum tetraboride on low-temperature experimental and ab-initio calculation data
dc.typeArticle

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