Original Research
Structural, electronic, optical, mechanical and magnetic properties of Co2CrZ (Z = As, B, Ga, Pb) full-Heusler compounds
P. Singh
a
S. Mahla
b
M. G. Chaudharyc
R. Agrawal
d
C. Singh
a
A. S. Verma
e
f

aDepartment of Physics, Agra College, Agra 282002 India

bDepartment of Physics, GDC Memorial College, Bahal, Bhiwani 127028 India cDepartment of Physics, SRM Institute of Science & Technology, Delhi-NCR

Campus, Modinagar, Ghaziabad 201204 India

dDepartment of Computer Engineering and Applications, G. L. A. University,

Mathura 281406, India

dDivision of Research & Innovation, School of Applied and Life Sciences,

Uttaranchal University, Dehradun, Uttarakhand 284007 India

e University Centre for Research & Development, Department of Physics,

Chandigarh University, Mohali, Punjab 140413 India


Journal of Ovonic Research 2023, 19(4),387-399; https://doi.org/10.15251/JOR.2023.194.387
Submitted:Apr 18, 2023
Accepted:Jul 28, 2023
Published:Aug 01, 2023
+
Cite This Article
P. Singh ,S. Mahla ,M. G. Chaudharyc ,R. Agrawal ,C. Singh ,A. S. Verma ,f . (2023). Journal of Ovonic Research. Structural, electronic, optical, mechanical and magnetic properties of Co2CrZ (Z = As, B, Ga, Pb) full-Heusler compounds, 19(4), ,387-399. https://doi.org/10.15251/JOR.2023.194.387
Abstract

Two separate computational algorithms have been used in the current investigation of Full-heusler compounds. One is the pseudo-potential approach used in the Atomistic Tool Kit-Virtual Nanolab, while the other is FP-LAPW method as implemented in WIEN2k. In the computational code, these compounds exhibit mattelic character in both the majority and minority spin channels. According to the WIEN2k and ATK-VNL codes, the computed magnetic moments of these compounds Co2CrZ (Z = As, B, Ga, and Pb) are

4.93 µB and 5.02 µB, 3.00 µB and 3.08 µB, 3.02 µB and 3.16 µB, and 4.07 µB and 4.30 µB, respectively. Between the estimated value and the Slater-Pauling rule, we discovered excellent agreement. These compounds' optical characteristics include reflectivity, refractive index, excitation coefficient, and absorption coefficient, among others. An analysis has been done on the electron energy loss and optical conductivity. Both the electron energy-loss function and the absorption coefficient increase as the energy value increases. As per the results of elastic properties, Co2CrZ compounds with Z = As, Pb are

ductile by nature, whereas those with Z = B, Ga are brittle. Co2CrZ (Z = As, B, Ga, and Pb) compounds exhibit metallic behaviour when their Cauchy pressure (CP = C12 - C44) value is positive.

©2026 by the authors. Submitted for possible open access publication under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
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