Electronic and phonon properties of the full-Heusler alloys X2YAl (X = Co, Fe and Y = Cr, Sc): a density functional theory study
Yazarlar (7)
N. Arıkan
Kırşehir Ahi Evran Üniversitesi, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
A. S. Uǧur Gazi Üniversitesi, Türkiye
Z. Charifi Université Mohamed Boudiaf - M'sila, Cezayir
H. Baaziz Université Mohamed Boudiaf - M'sila, Cezayir
G. Uǧur
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Materials Science | ||
| Dergi ISSN | 0022-2461 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2014 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | 20-02-2014 |
| Cilt / Sayı / Sayfa | 49 / 12 / 4180–4190 | DOI | 10.1007/s10853-014-8113-7 |
| Makale Linki | http://link.springer.com/10.1007/s10853-014-8113-7 | ||
| Özet |
| First-principle calculations have been carried out on the structural, electronic, elastic, and phonon properties of the full-Heusler alloys X2YAl (X = Co, Fe and Y = Cr, Sc). The calculations predict that the Fe2CrAl and Co2CrAl are half-metallic ferromagnets at the equilibrium lattice constant with a minority-spin energy gap of 0.2912 and 0.668 eV, respectively. Fe2ScAl exhibit a gap in the majority density of states, with a few states at the Fermi level and about 0.217 states eV−1, unlike the other Heusler compounds; due to this, it is considered a false half metal, and Co2ScAl is considered a non-magnetic compound. The elastic constants were derived from the slopes of the acoustic branches in the phonon-dispersion curve. The calculated lattice constants, bulk modulus, and first-order pressure derivative of the bulk modulus are reported for the L21 structure and compared with previous values. Phonon-dispersion curves … |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 53 |
| Scopus | 5 |
| Web of Science | 42 |