Effect of the Chalcogenide Element Doping on the Electronic Properties of Co2FeAl Heusler Alloys

2015 ◽  
Vol 45 (2) ◽  
pp. 1028-1034 ◽  
Author(s):  
Ting Huang ◽  
Xiao-min Cheng ◽  
Xia-wei Guan ◽  
Xiang-shui Miao
Keyword(s):  
Electronic Properties ◽  
Heusler Alloys ◽  
Element Doping

Site preference of Zr in Heusler alloys Zr2YAl (Y = Cr, Mn, Fe, Co, Ni) and its influence on the electronic properties

2017 ◽  
Vol 695 ◽  
pp. 2995-3001 ◽  
Author(s):  
Fanbin Meng ◽  
Hongyue Hao ◽  
Yuexing Ma ◽  
Xingmiao Guo ◽  
Hongzhi Luo
Keyword(s):  
Electronic Properties ◽  
Heusler Alloys ◽  
Site Preference

Structural, elastic, magnetic and electronic properties of Ti-based Heusler alloys

2020 ◽  
Vol 34 (07) ◽  
pp. 2050055 ◽  
Author(s):  
R. Murugeswari ◽  
M. Manikandan ◽  
R. Rajeswarapalanichamy ◽  
A. Milton Franklin Benial
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Energy Gap ◽  
Ambient Pressure ◽  
Magnetic Moments ◽  
Heusler Alloys ◽  
Text Structure ◽  
Simulation Code ◽  
Text Type ◽  
Lattice Constants

The structural, elastic, magnetic and electronic properties of titanium-based alloys [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] are investigated by the first-principles calculations based on density functional theory using the Vienna ab-initio simulation code. The lattice constants of [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] alloys are optimized for the two possible structures such as [Formula: see text] and [Formula: see text]. It is found that at ambient pressure [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] alloys are stable in [Formula: see text]-type crystal structure. The total magnetic moments [Formula: see text] and the energy gap [Formula: see text] of [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] alloys are calculated for various pressures. The total magnetic moments of [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] alloys in [Formula: see text] structure follow the rule [Formula: see text] and agree with the Slater–Pauling (SP) curve quite well. In both structures [Formula: see text] and [Formula: see text], the calculated magnetic moment of [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] alloys decreases with increase in pressure. Density of states shows the metallic nature of [Formula: see text] [Formula: see text], [Formula: see text] and [Formula: see text] alloys in [Formula: see text] structure and half-metallic [Formula: see text] behavior in [Formula: see text] structure, i.e., majority spin channel is strongly metallic and the minority spin maintains the gap at the Fermi level at the equilibrium lattice constant.

Structural and electronic properties of half-Heusler alloys PtXBi (with X=Mn, Fe, Co and Ni) calculated from first principles

2015 ◽  
Vol 377 ◽  
pp. 252-258 ◽  
Author(s):  
Wenchao Huang ◽  
Xiaofang Wang ◽  
Xiaoshuang Chen ◽  
Wei Lu ◽  
L. Damewood ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Heusler Alloys ◽  
Structural And Electronic Properties

Electronic properties of Fe2Cr1-xVxAl heusler alloys

2012 ◽  
Author(s):  
Ritwik Saha ◽  
V. Srinivas ◽  
Ch. Venkatesh ◽  
S. K. Srivastava
Keyword(s):  
Electronic Properties ◽  
Heusler Alloys

Site preference, magnetic and electronic properties of half-metallic Vanadium-based full Heusler alloys

2021 ◽  
Vol 517 ◽  
pp. 167379
Author(s):  
Xingzhe Du ◽  
Yajiu Zhang ◽  
Zhuhong Liu ◽  
Zhigang Wu ◽  
Shifeng Xu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Heusler Alloys ◽  
Site Preference ◽  
Half Metallic ◽  
Full Heusler ◽  
Full Heusler Alloys

The structural, magnetic and electronic properties of Fe-Ni-Ga ternary Heusler alloys

2020 ◽  
Vol 260 ◽  
pp. 114654
Author(s):  
Yujie Zhang ◽  
Wei Zhang ◽  
Xiaofei Yu ◽  
Chao Yu ◽  
Zhenya Liu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Heusler Alloys

Electronic properties and electronic structure of Co2YSi (Y = Ti, V, Cr, Mn, Fe) Heusler alloys

2021 ◽  
pp. 1-1
Author(s):  
Alena A. Semiannikova ◽  
Yulia A. Perevozchikova ◽  
Alexey V. Lukoyanov ◽  
Elena I. Shreder ◽  
Alexander A. Makhnev ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Heusler Alloys

Ab-initio investigation of electronic properties and magnetism of half-Heusler alloys XCrAl (X=Fe, Co, Ni) and NiCrZ (Z=Al, Ga, In)

2008 ◽  
Vol 403 (1) ◽  
pp. 200-206 ◽  
Author(s):  
Hongzhi Luo ◽  
Zhiyong Zhu ◽  
Guodong Liu ◽  
Shifeng Xu ◽  
Guangheng Wu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Heusler Alloys
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