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Calculation of thermophysical properties of magnesium antimonide (α-Mg3Sb2)

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dc.contributor.authorGunay, Seckin Dundar
dc.date.accessioned2026-06-27T13:58:40Z
dc.date.issued2016
dc.description.abstractMagnesium antimonide (alpha-Mg3Sb2) is investigated by molecular dynamics simulation to find thermophysical properties. Lattice parameters and heat capacities are calculated from room temperature to the melting point. Nearest neighbor distances of ions are measured from the radial distribution function and compared with experimental values. Bulk properties like elastic constants and bulk and shear moduli are found and tabulated with first-principle and experimental data.en
dc.description.urihttps://doi.org/10.3906/fiz-1601-15
dc.identifier.doi10.3906/fiz-1601-15
dc.identifier.eissn1303-6122
dc.identifier.endpage269
dc.identifier.issn1300-0101
dc.identifier.issue3
dc.identifier.startpage264
dc.identifier.urihttps://hdl.handle.net/20.500.14981/56156
dc.identifier.volume40
dc.identifier.wos000390396400008
dc.language.isoeng
dc.publisherTubitak Scientific & Technological Research Council Turkey
dc.relation.ispartofTURKISH JOURNAL OF PHYSICS
dc.rightsopenAccess
dc.subjectMagnesium antimonide
dc.subjectMg3Sb2
dc.subjectlattice parameter
dc.subjectheat capacity
dc.subjectbulk properties
dc.subjectPROGRAM
dc.subjectPhysics
dc.titleCalculation of thermophysical properties of magnesium antimonide (α-Mg3Sb2)
dc.typeArticle
dspace.entity.typePublication
local.import.sourceWOS

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