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An examination of the structural, electronic, elastic, vibrational and thermodynamic properties of Ru2YGa (Y = Sc, Ti and V) Heusler alloys       
Yazarlar
Doç. Dr. Abdullah CANDAN Doç. Dr. Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Salih Akbudak
Adıyaman Üniversitesi, Türkiye
Doç. Dr. Mustafa ÖZDURAN Doç. Dr. Mustafa ÖZDURAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Doç. Dr. Ahmet İYİGÖR Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye
Özet
The structural, electronic, elastic, vibrational and thermodynamic properties of the Ru2YGa (Y = Sc, Ti and V) Heusler alloys in L2(1) type cubic structure have been analyzed systematically using first principles density functional theory (DFT) together with the Generalized Gradient Approximation (GGA) method. The values of calculated lattice constant (a(0)), elastic constants (Cij), Bulk modulus (B), Shear modulus (G), ratios of B/G, Young's modulus (E) and Poisson ratio (v) are in good agreement with the available theoretical and experimental results. The electronic band structures, corresponding total and partial density of states have also been obtained. The calculated band structures demonstrate that Ru2YGa (Y = Sc, Ti and V) alloys are metallic. The phonon dispersion curves, total and partial density of states of these alloys have been computed for the first time by adopting the direct method. It is considered that all alloys are dynamically stable in L2(1) structure.
Anahtar Kelimeler
Elastic moduli | DFT | Phonon dispersion | Thermodynamic properties | Band structure
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı CHINESE JOURNAL OF PHYSICS
Dergi ISSN 0577-9073
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 08-2018
Cilt No 56
Sayı 4
Sayfalar 1772 / 1780
Doi Numarası 10.1016/j.cjph.2018.05.006
Makale Linki https://linkinghub.elsevier.com/retrieve/pii/S0577907318301722