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

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.

First-principles study on quaternary Heusler compounds ZrFeVZ (Z = Al, Ga, In) with large spin-flip gap

RSC Advances ◽  
2016 ◽  
Vol 6 (111) ◽  
pp. 109394-109400 ◽  
Author(s):  
Ruikang Guo ◽  
Guodong Liu ◽  
Xiaotian Wang ◽  
Habib Rozale ◽  
Liying Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Heusler Compounds ◽  
First Principles Calculations ◽  
Half Metallic ◽  
First Principles Study ◽  
Spin Flip ◽  
Large Spin

First-principles calculations were used to systematically investigate the structural, electronic and half-metallic properties of newly designed quaternary Heusler compounds ZrFeVZ (Z = Al, Ga, In).

First-principles calculations: half-metallic Au–V(Cr) quantum wires as spin filters

2009 ◽  
Vol 20 (9) ◽  
pp. 095201 ◽  
Author(s):  
Y Min ◽  
K L Yao ◽  
Z L Liu ◽  
G Y Gao ◽  
H G Cheng ◽  
...  
Keyword(s):  
First Principles ◽  
Quantum Wires ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Spin Filters
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