Abstract
In this work, the structural and magnetic properties of Cr – doped Ni 1.75 Co 0.25 MnCr 0 .5In0.5 Heusler alloys are investigated by using the density functional theory calculations. The chemical disorder is treated by the 16-atom supercell approach. Three compositions with substitution of 6.25%, 12.5 %, 18.75%, and 25% Cr for Mn are taken into consideration. The formation energy, magnetic moments and lattice parameters depending on the Cr content are found. It is shown that compositions with 6.25% and 12.5% of Cr are energetically stable in austenite.
Highlights
Co -doped Heusler alloys Ni-Mn-Z (Z= Ga, In, Sn) have attracted a lot of attention due to the observation of shape memory effect, the giant magnetoresistance, magnetocaloric effect (MCE) etc. [1,2,3,4]
The authors have declared that the addition of high amount of Cr may be highly detrimental to the achievement of a large MCE
To determine the total energy of pure Mn element we considered both FM and antiferromagnetic (AF) alignments of magnetic moments in bcc and fcc structures
Summary
Co -doped Heusler alloys Ni-Mn-Z (Z= Ga, In, Sn) have attracted a lot of attention due to the observation of shape memory effect, the giant magnetoresistance, magnetocaloric effect (MCE) etc. [1,2,3,4]. The Co addition can greatly change both the martensitic transformation temperature and Curie temperatures of austenite and martensite as well as it can change magnetization curves across the structural transition resulting in an enhancement of the inverse MCE. Liu et al [5] directly measured the adiabatic temperature change (ΔTad) across the magnetostructural transformation for Ni1.8Co0.2Mn1.48In0.52 alloy upon variation of magnetic field from 0 to 1.9 T. The authors have found the largest value of ΔTad (≈ - 6 K) obtained for Heusler alloys. Much less information is available about the Cr – doped influence on magnetic and magnetocaloric properties of Ni-Mn-In alloys. We present theoretical investigations of the structural and magnetic properties as well as the relative stability of hypothetical Ni1.75Co0.25Mn1.5-xCrxIn0.5 (x = 0.25, 0.50, 0.75, and 1.0) alloys in austenite
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