Magnetic, Electronic, Mechanic, Anisotropic Elastic and Vibrational Properties of Antiferromagnetic Ru2TGa (T = Cr, Mn, and Co) Heusler Alloys
Yazarlar (1)
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Electronic Materials (Q3)
Dergi ISSN 0361-5235 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 12-2019
Kabul Tarihi 05-09-2019 Yayınlanma Tarihi 17-09-2019
Cilt / Sayı / Sayfa 48 / 12 / 7608–7622 DOI 10.1007/s11664-019-07625-5
Makale Linki https://link.springer.com/content/pdf/10.1007/s11664-019-07625-5.pdf
Özet
A theoretical study of magnetic, electronic, mechanic, anisotropic elastic, and vibrational properties of TGa (T = Cr, Mn, and Co) Heusler alloys has been extensively investigated by the first-principles method using the generalized gradient approximation. Structural parameters such as lattice constant (), bulk modulus (B) and first pressure derivative of bulk modulus (B′) were obtained by using the Murnaghan equation. The calculated formation enthalpies () showed that these alloys are thermodynamically stable. The total spin magnetic moments per unit cell of TGa (T = Cr, Mn, and Co) alloys were found to be 1.16 , 2.16  and 0.29 , respectively. In addition to electronic band structures along the high symmetry directions, corresponding total and partial density of states were also plotted. It was found that the spin-up states have a metallic character for all alloys, but the spin-down states of the other alloys except for CoGa have a …
Anahtar Kelimeler
Antiferromagnetics | electronic properties | Heusler alloys | mechanical properties | phonon dispersion