Structural, half-metallic and elastic properties of the half-Heusler compounds NiMnM (M = Sb, As and Si) and IrMnAs from first-principles calculations

2014 ◽  
Vol 53 ◽  
pp. 26-33 ◽  
Author(s):  
Yufeng Wu ◽  
Bo Wu ◽  
Zhenyi Wei ◽  
Zeyou Zhou ◽  
Chunfeng Zhao ◽  
...  
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Heusler Compounds ◽  
First Principles Calculations ◽  
Half Metallic

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).

Origin of the half-metallic band-gap in newly designed quaternary Heusler compounds ZrVTiZ (Z = Al, Ga)

RSC Advances ◽  
2016 ◽  
Vol 6 (62) ◽  
pp. 57041-57047 ◽  
Author(s):  
Xiaotian Wang ◽  
Zhenxiang Cheng ◽  
Jianli Wang ◽  
Liying Wang ◽  
Zheyin Yu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
First Principles ◽  
Electronic Structures ◽  
Heusler Compounds ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Work First

In this work, first-principles calculations have been used to investigate the electronic structures, magnetic properties, and half-metallic nature of the newly designed quaternary Heusler compounds ZrVTiAl and ZrVTiGa.

Half-Metallic Magnetism of Quaternary Heusler Compounds Co2Fe x Mn1−x Si(x =0,0.5, and 1.0): First-Principles Calculations

2015 ◽  
Vol 29 (2) ◽  
pp. 277-283 ◽  
Author(s):  
Bennadji Abderrahim ◽  
Mohammed Ameri ◽  
Djillali Bensaid ◽  
Yahia Azaz ◽  
Bendouma Doumi ◽  
...  
Keyword(s):  
First Principles ◽  
Heusler Compounds ◽  
First Principles Calculations ◽  
Half Metallic

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
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