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Pressure and spin effect on the stability, electronic and mechanic properties of three equiatomic quaternary Heusler (FeVHfZ, Z = Al, Si, and Ge) compounds      
Yazarlar
Gökhan Sürücü
Kırşehir Ahi Evran Üniversitesi, Türkiye
Ayşenur Gencer
Karamanoğlu Mehmetbey Üniversitesi, Türkiye
Özge Sürücü
Atılım Üniversitesi, Türkiye
Demet Usanmaz
Türkiye
Doç. Dr. Abdullah CANDAN Doç. Dr. Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Özet
In this paper, three equiatomic quaternary Heusler compounds -FeVHfZ (Z = Al, Si, and Ge) - are investigated for their structural, magnetic, electronic, mechanic, and lattice dynamic properties under pressure effect. These compounds are optimized for under three structural types and three magnetic phases: beta is the most stable structure with ferromagnetic phase. The electronic properties reveal that FeVHfAl is a half-metal, and that FeVHfSi and FeVHfGe are spin gapless semiconductors. In addition to electronic band structure, possible hybridization and partial density of states are presented. Furthermore, the mechanical properties are studied, and the three-dimensional direction-dependent mechanical properties are visualized under varying pressure effects. Our results reveal the half-metal and spin gapless semiconductor nature of the ferromagnetic FeVHfZ com-pounds, making them promising materials for spintronics applications.
Anahtar Kelimeler
Half-metals, Spin gapless semiconductors, Density functional theory, Equiatomic quaternary Heusler compounds
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Materials Today Communications
Dergi ISSN 2352-4928
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q2
Makale Dili Türkçe
Basım Tarihi 01-2021
Cilt No 29
Sayı 1
Doi Numarası 10.1016/j.mtcomm.2021.102941
Makale Linki http://dx.doi.org/10.1016/j.mtcomm.2021.102941