Akademik Veri Yönetim Sistemi
TURKISH PHYSICAL SOCIETY 37th INTERNATIONAL PHYSICS CONGRESS, Muğla, Türkiye, 1 - 05 Eylül 2021, ss.110-111
The ab-initio calculations of CrWBi half-Heusler alloy were investigated by WIEN2k. According to volume-energy optimization curve, the ferromagnetic phase is energetically more stable than non-magnetic phase. Here, the equilibrium lattice parameter of cubic CrWBi half-Heusler alloy is 6.17 Å. Since the spin-down electrons cut the Fermi energy level, these had metallic nature. However, the valance band maximum and conducting band minimum values were obtained as – 0.147 eV and 0.229 eV, respectively in the spin-up states. The spin-up states had semiconducting feature with the total band gap of 0.376 eV. These band gap values confirmed the %100 spin polarization around the Fermi energy level. Furthermore, the total magnetic moment was calculated as 1.00 μB/f.u. Finally, CrWBi half-Heusler alloy is a half-metallic ferromagnet material.