Structural instability of epitaxial zinc-blende vanadium pnictides and chalcogenides for half-metallic ferromagnets

2008 ◽  
Vol 104 (5) ◽  
pp. 053709 ◽  
Author(s):  
Dan Huang ◽  
Yu-Jun Zhao ◽  
Li-Juan Chen ◽  
Di-Hu Chen ◽  
Yuan-Zhi Shao
Keyword(s):  
Structural Instability ◽  
Half Metallic ◽  
Zinc Blende ◽  
Pnictides And Chalcogenides

Materials Design and Molecular-Beam Epitaxy of Half-Metallic Zinc-Blende CrAs and the Heterostructures

2005 ◽  
pp. 293-311
Author(s):  
Hiro Akinaga ◽  
Masaki Mizuguchi ◽  
Kazutaka Nagao ◽  
Yoshio Miura ◽  
Masafumi Shirai
Keyword(s):  
Molecular Beam Epitaxy ◽  
Molecular Beam ◽  
Materials Design ◽  
Metallic Zinc ◽  
Half Metallic ◽  
Zinc Blende

Ab initio calculations of the magnetic properties of TM (Ti, V)-doped zinc-blende ZnO

2018 ◽  
Vol 32 (03) ◽  
pp. 1850025 ◽  
Author(s):  
F. Goumrhar ◽  
L. Bahmad ◽  
O. Mounkachi ◽  
A. Benyoussef
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Exchange Coupling ◽  
Local Density ◽  
Density Approximation ◽  
Potential Approximation ◽  
Half Metallic ◽  
Suitable Material ◽  
Zinc Blende ◽  
Exchange Coupling Interaction

In order to promote suitable material to be used in spintronics devices, this study purposes to evaluate the magnetic properties of the titanium and vanadium-doped zinc-blende ZnO from first-principles. The calculations of these properties are based on the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA), using the local density approximation (LDA). We have calculated and discussed the density of states (DOSs) in the energy phase diagrams for different concentration values, of the dopants. We have also investigated the magnetic and half-metallic properties of this doped compound. Additionally, we showed the mechanism of the exchange coupling interaction. Finally, we estimated and studied the Curie temperature for different concentrations.

First-principles calculations of half-metallic zinc-blende type superlattices

2006 ◽  
Vol 36 (1-2) ◽  
pp. 143-146 ◽  
Author(s):  
M. Geshi ◽  
Masafumi Shirai ◽  
K. Kusakabe ◽  
N. Suzuki
Keyword(s):  
First Principles ◽  
Metallic Zinc ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Zinc Blende
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