Calculation of super reflection peaks of Ni₂Mn-based full-Heusler alloy through Vesta software

¹ Kisan Post Graduate College, Bahraich, U.P. 271801, India.
² Maa Pateswari University, Balrampur, U. P. 271201, India.
³ Dr. Rammanohar Lohia Awadh University, Ayodhya, U. P. 224001, India.
⁴ CSIR-National Physical Laboratory, New Delhi, 110012, India.

^* Corresponding author: This email address is being protected from spambots. You need JavaScript enabled to view it.

Published online: 5 March 2026

Abstract

Dominant magnetic properties have been shown in Heusler alloys and local magnetic moment have been strongly associated with the Mn and Co based half and full-Heusler based materials. These alloys have exhibited the highest magnetic moment so for in comparison to other alloys, compound and composite materials. Magnetic moments are found to be localized around the atoms subsequently depends on the chemical surrounding of atoms. Limited swapping of atoms lead to significantly reduces the magnetic moment in these alloys. Therefore, it is necessary to evaluate the extent of swapping of atoms between the alloys. In order to evaluate the effect of replacement of p group element in Ni₂MnSb, we have used the vesta software and calculated the ratio of super reflection peaks. Moreover, we have also introduced the spontaneous swapping of atoms due to their equivalent electronegativity and atomic size. Spontaneous swapping gives rise to the enhancement/reduction of magnetic moments because magnetic moments are mainly governed by the total valence electron count (VEC) of the substituted elements.