First-principles study of Pt doping effects on Ni2MnGa and Ni2FeGa ferromagnetic shape memory alloys

2019 ◽  
Vol 126 (8) ◽  
pp. 085103 ◽  
Author(s):  
Xiong Yang ◽  
Ying Wang ◽  
Mingrun Du ◽  
Yanhong Xue
Keyword(s):  
Shape Memory Alloys ◽  
Shape Memory ◽  
First Principles ◽  
Ferromagnetic Shape Memory Alloys ◽  
First Principles Study ◽  
Doping Effects ◽  
Ferromagnetic Shape Memory

Effects of Co Addition on Crystal Structure, Thermal Stability and Magnetic Properties of Ni-Mn-Ga Ferromagnetic Shape Memory Alloys from First-Principles Calculations

2012 ◽  
Vol 706-709 ◽  
pp. 1990-1995
Author(s):  
Jing Bai ◽  
Jean Marc Raulot ◽  
Yu Dong Zhang ◽  
Claude Esling ◽  
Xiang Zhao ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Shape Memory Alloys ◽  
Shape Memory ◽  
First Principles ◽  
Density Functional ◽  
First Principles Calculations ◽  
Ferromagnetic Shape Memory Alloys ◽  
Electronic Density ◽  
Co Addition ◽  
Ferromagnetic Shape Memory

The effect of Co addition on the properties of Ni8-xMn4Ga4Cox(x=0, 0.5, 1, 1.5 and 2) ferromagnetic shape memory alloys are systematically investigated by means of the first–principles calculations within the framework of density functional theory (DFT) using the Viennaabinitiosoftware package (VASP). The formation energy results indicate that the added Co preferentially occupies the Ni sites in Ni2MnGa alloy. With the increase of the Co content, the optimized lattice parameters of the parent phase decreases regularly, whereas the lattice parameteraof the martensite increases andcdecreases, thus leading to a decrease of thec/aratio. The effects of Co addition on phase stability of the paramagnetic and ferromagnetic austenite are displayed. The difference in the magnetic properties in the investigated series can be explained from the electronic density of states analysis. The aim of this paper is to provide theoretical guidance for the development of new promising ferromagnetic shape memory alloys with optimized properties.

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