Half-metallic p-electron ferromagnetism in alkaline earth doped AlAs: A first-principles calculation

2012 ◽  
Vol 100 (9) ◽  
pp. 092407 ◽  
Author(s):  
Yong-Hong Zhao ◽  
Yong-Feng Li ◽  
Yong Liu
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
First Principles Calculation ◽  
Half Metallic

SILICON-BASED HALF-METAL: METAL-ENCAPSULATED SILICON NANOTUBE

NANO ◽  
2007 ◽  
Vol 02 (02) ◽  
pp. 109-114 ◽  
Author(s):  
J. BAI ◽  
X. C. ZENG
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Electronic Band ◽  
Half Metallic ◽  
Half Metal ◽  
Silicon Nanostructure ◽  
Metal Metal ◽  
Silicon Based ◽  
Electronic Band Structures ◽  
Silicon Nanotube

We performed first-principles calculation to show that a host–guest silicon nanostructure can exhibit half-metallic properties, wherein the host is a single-walled hexagonal silicon nanotube while the guest is a hybrid atomic chain of Mn and Co (encapsulated in the host nanotube). The calculated electronic band structures indicate that the Fermi level intersects only in the spin-up band, whereas the spin-down band exhibits semiconducting characteristics.

Cation ordering induced semiconductor to half metal transition in La2NiCrO6

RSC Advances ◽  
2015 ◽  
Vol 5 (63) ◽  
pp. 50913-50918 ◽  
Author(s):  
Jing Wang ◽  
Xiangfeng Hao ◽  
Yuanhui Xu ◽  
Zhiping Li ◽  
Ningning Zu ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Cation Ordering ◽  
Half Metallic ◽  
Half Metal

La2NiCrO6, previously proposed to be a candidate of half metallic antiferromagnetism, is revisited using the first-principles calculation.

First-Principles Calculation of Solution Energy of Alkaline-Earth Metal Elements to BaTiO3

2007 ◽  
Vol 46 (10B) ◽  
pp. 7136-7140 ◽  
Author(s):  
Hiroki Moriwake ◽  
Tsukasa Hirayama ◽  
Yuichi Ikuhara ◽  
Isao Tanaka
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
First Principles Calculation ◽  
Alkaline Earth Metal ◽  
Metal Elements ◽  
Solution Energy

First-Principles Calculation for the Half Metallic Properties of La 2 NbMnO 6

2017 ◽  
Vol 34 (10) ◽  
pp. 107101 ◽  
Author(s):  
Ning-Ning Zu ◽  
Rui Li ◽  
Ya-Hui Zheng ◽  
Lin Chen
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Half Metallic

Alkaline-Earth Doped Effect on Oxygen Vacancy Migration in Monoclinic Lanthanum Germanate: First-Principles Calculation

2013 ◽  
Vol 57 (1) ◽  
pp. 1077-1083
Author(s):  
T. P. T. Linh ◽  
M. Sakaue ◽  
M. Alaydrus ◽  
T. D. K. Wungu ◽  
S. M. Aspera ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
Alkaline Earth ◽  
First Principles Calculation ◽  
Vacancy Migration
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