Theoretical investigation of fundamental physical properties of full-Heusler Co2VZ (Z= Al, Bi, Ga, Ge) compounds
S. Mahlaa, R. Agrawalb, S. Kumarc, P. Singhd, M. Lale, S. Singhf, A. S. Vermag,h,*
Chalcogenide Letters, Vol.20, No.7, pp. 535-547, 2023, DOI:10.15251/CL.2023.207.535
Abstract A subclass of ternary intermetallic known as Heusler compounds is being employed in the
steel industry to increase material strength. This study examines the structural, electrical,
optical, and magnetic properties of Co2VZ (Z=Al, Bi, Ge, Si) compounds using two
different methods. First is full potential linearized augmented plane wave (FP-LAPW)
method by WIEN2k and second is pseudo potential method by Atomic Tool Kit-Virtual
Nano-Lab. The equivalent energy gaps in the minority-spin of Co2VZ (Z= Al, Bi, Ga, Ge)
with WIEN2k code, which displays 100% spin polarization, are 0.703, 0.384, 0.186, and
0.67 eV near to the More >