Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

H Seiner, M Zelený, P Sedlák, L Straka… - physica status solidi …, 2022 - Wiley Online Library
This review summarizes recent advances in first‐principles simulations of the structural,
mechanical, and magnetomechanical properties of Ni–Mn–Ga‐based ferromagnetic shape …

Density functional theory investigation on structural, mechanical, electronic and vibrational properties of Heusler alloys AlXIr2 (X= Co, Cr, Cu, Fe and Zn)

A Iyigör, S Al, N Arikan - Chemical Physics Letters, 2022 - Elsevier
This study focuses on the detailed investigation of full-Heusler AlXIr 2 (X= Co, Cr, Cu, Fe and
Zn) alloys. A first-principal plane-wave pseudopotential method based on density functional …

First-principles calculations to investigate the structural, electronic, elastic, vibrational and thermodynamic properties of the full-Heusler alloys X2ScGa (X= Ir and Rh)

M Çanlı, E Ilhan, N Arıkan - Materials Today Communications, 2021 - Elsevier
This study has investigated ab initio pseudopotential calculations on the structural,
electronic, elastic, vibrational and thermodynamic properties of the full-Heusler X 2 ScGa …

Bulk electronic structure of studied by density functional theory and hard x-ray photoelectron spectroscopy

J Bhattacharya, P Sadhukhan, S Sarkar, VK Singh… - Physical Review B, 2023 - APS
A combined study employing density functional theory (DFT) using the experimentally
determined modulated structures in the martensite phase and bulk-sensitive hard x-ray …

Role of Magnetism in Lattice Instability and Martensitic Transformation of Heusler Alloys

I Razumov, Y Gornostyrev - Metals, 2023 - mdpi.com
Heusler alloys are subject of considerable interest because they exhibit a martensitic
transformation (MT), a shape-memory effect and a giant magnetocaloric effect. As it is …

Effect of Partial Substitution of Ga on the Structural and Magnetic Properties of the Ni–Mn–Ga Heusler Alloys

VV Sokolovskiy, VD Buchelnikov - Physics of Metals and Metallography, 2023 - Springer
This study explores the impact of Cu and Zn atoms' alloying on the magnetic and structural
features of cubic and tetragonal phase of the Ni2Mn1. 125Ga0. 875 Heusler alloy, using …

Effect of Ga partial substitution on the structural and magnetic properties of Heusler Ni–Mn–Ga alloys

VV Sokolovskiy, VD Buchelnikov - Fizika metallov i …, 2023 - journals.rcsi.science
The effect of doping with Cu and Zn atoms on the magnetic and structural properties of the
cubic and tetragonal phase of the Heusler Ni 2 Mn 1.125 Ga 0.875 alloy has been …

Ab Initio Study of Magnetic Properties and Phase Diagram of Ni-Mn-Ga Heusler Alloys

MA Zagrebin, VV Sokolovskiy… - Materials Science …, 2013 - Trans Tech Publ
In this work the magnetic properties (exchange parameters, magnetic moment of non-
stoichiometric Ni–Mn–Ga Heusler alloys with structural disorder by the help of ab initio …

Theoretical Investigation of The Properties of LiRuAs Semi-Heusler Alloy via Density Function Theory

E Albayrak - Bitlis Eren Üniversitesi Fen Bilimleri Dergisi - dergipark.org.tr
The structural, thermal, electronic and elastic properties of LiRuAS semi Heusler alloy were
investigated using a generalized gradient approximation (GGA) approach, which employs a …