Open Access

ARTICLE

Theoretical investigation of fundamental physical properties of full-Heusler Co₂VZ (Z= Al, Bi, Ga, Ge) compounds

S. Mahla^a, R. Agrawal^b, S. Kumar^c, P. Singh^d, M. Lal^e, S. Singh^f, A. S. Verma^g,h,*

a Department of Physics, GDC Memorial College, Bahal, Bhiwani 127028 India
b Department of Computer Engineering and Applications, G. L. A. University Mathura 281406 India
c Department of Physics, Dhanauri PG College, Roorkee, Haridwar 247667 India
d Department of Electronics and Communication Engineering, KIET Group of Institutions, Ghaziabad 201206, India
e Department of Physics, Government Degree College, Una, Himachal Pradesh 174303 India
f Department of Physics, Chintamani College of Arts and Science, Gondpipri, Maharashtra 442702 India
g Division of Research & Innovation, School of Applied and Life Sciences, Uttaranchal University, Dehradun, Uttarakhand 284007 India
h University Centre for Research & Development, Department of Physics, Chandigarh University, Mohali, Punjab 140413 India

* Corresponding Author:

Chalcogenide Letters 2023, 20(7), 535-547. https://doi.org/10.15251/CL.2023.207.535

Received 19 April 2023; Accepted 27 July 2023;

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 Fermi level. Furthermore, it is discovered that these compounds are absolutely half-metallic ferromagnetic (HMF). With the exception of Co2VBi, which exhibits metallic properties, the aforementioned compounds exhibit 0.525, 0.0, 0.553, and 0.786 eV band gaps in the ATK-VNL code and indicate 100% spin polarization. The magnetic moments of the compounds Co₂VZ (Z= Al, Bi, Ga, Ge) are found to be 2.976, 4.003, 1.989, and 3.001 µB, respectively, in the WIEN2k code. The relative magnetic moments of the aforementioned compounds are also 1.991, 3.947, 1.999, and 2.997 µB, according to the ATK-VNL code.

---

Keywords

---