Itinerant magnetism in the half-metallic Heusler compound Co2HfSn : Evidence from critical behavior combined with first-principles calculations

2021 ◽  
Vol 103 (9) ◽  
Author(s):  
Azizur Rahman ◽  
Majeed Ur Rehman ◽  
Hongze Zhao ◽  
Wei Liu ◽  
Jianlin Wang ◽  
...  
Keyword(s):  
Critical Behavior ◽  
First Principles ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Heusler Compound ◽  
Itinerant Magnetism

Pressure-Induced Tunable Magnetism and Half-Metallic Stability in Co2FeGa Heusler Alloy

2013 ◽  
Vol 477-478 ◽  
pp. 1303-1306
Author(s):  
Qin Xiang Gao
Keyword(s):  
Fermi Level ◽  
First Principles ◽  
Density Functional ◽  
High Energy ◽  
First Principles Calculations ◽  
Half Metallicity ◽  
Functional Theory ◽  
Half Metallic ◽  
Heusler Compound ◽  
The Density Functional Theory

Using the first-principles calculations within the density functional theory (DFT), we have investigated the structure, magnetism and half-metallic stability of Co2FeGa Heusler compound under pressure from 0 to 50GPa. The results revel that the lattice constant is gradually shrank and total magnetic moment in per unit slightly decreased with increasing pressure, respectively. Moreover, with the increase of the pressure, the Fermi level will move towards high-energy orientation. When the pressure reaches at 30GPa the most stable half-metallicity is observed which the Fermi level is located at the middle of the spin-minority gap.

scholarly journals Doped semiconductors as half-metallic materials: Experiments and first-principles calculations ofCoTi1−xMxSb(M=Sc, V, Cr, Mn, Fe)

2008 ◽  
Vol 77 (4) ◽  
Author(s):  
Benjamin Balke ◽  
Gerhard H. Fecher ◽  
Andrei Gloskovskii ◽  
Joachim Barth ◽  
Kristian Kroth ◽  
...  
Keyword(s):  
First Principles ◽  
Metallic Materials ◽  
First Principles Calculations ◽  
Doped Semiconductors ◽  
Half Metallic

Half-metallic full-Heusler compound Ti2NiAl: A first-principles study

2011 ◽  
Vol 509 (17) ◽  
pp. 5187-5189 ◽  
Author(s):  
Feng Lei ◽  
Chengchun Tang ◽  
Shuangjin Wang ◽  
Wenchen He
Keyword(s):  
First Principles ◽  
Half Metallic ◽  
Heusler Compound ◽  
First Principles Study ◽  
Full Heusler
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