Elastic, Electronic, and Optical properties of NaSnX (X=Sb, Bi, As): First principle calculations

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dc.contributor.authorKoc, Husnu
dc.contributor.authorMamedov, Amirullah M.
dc.contributor.authorOzbay, Ekmel
dc.date.accessioned2024-12-24T19:23:59Z
dc.date.available2024-12-24T19:23:59Z
dc.date.issued2019
dc.departmentSiirt Üniversitesi
dc.description5th International Conference on Competitive Materials and Technology Processes (ic-cmtp) -- OCT 08-12, 2018 -- Miskolc-Lillafured, HUNGARY
dc.description.abstractIn the present work, the structural, mechanical, electronic and optical properties of NaSnX (X=Sb, B, As) compounds have been investigated by means of first principles calculations. The generalized gradient approximation has been used for modeling the exchange-correlation effects. It has been observed that the calculated lattice parameters are in good agreement with the experimental and theoretical lattice parameters. Bulk modulus, shear modulus, Young's modulus Poisson's ratio, sound velocities and the Debye temperatures using the calculated elastic constants for NaSnSb, NaSnBi and NaSnAs compounds have been obtained. The electronic band structure and the projected density of states corresponding to the electronic band structure have calculated. and interpreted. The obtained electronic band structure for NaSnSb and NaSnBi compounds are metallic in nature, and the NaSnAs compound is also a narrow semiconductor. Based on the obtained electronic structures, we further calculated the frequency-dependent dielectric function, the energy-loss function, optical conductivity, and reflection along the x- and z- axes.
dc.identifier.doi10.1088/1757-899X/613/1/012011
dc.identifier.issn1757-8981
dc.identifier.scopus2-s2.0-85075108395
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://doi.org/10.1088/1757-899X/613/1/012011
dc.identifier.urihttps://hdl.handle.net/20.500.12604/5797
dc.identifier.volume613
dc.identifier.wosWOS:000562600500011
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIop Publishing Ltd
dc.relation.ispartof5th International Conference on Competitive Materials and Technology Processes
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241222
dc.titleElastic, Electronic, and Optical properties of NaSnX (X=Sb, Bi, As): First principle calculations
dc.typeConference Object

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