First Principle Calculation of Electric and Magnetic Properties for New Half-metal Fe2ScO4

2007 ◽  
Vol 20 (3) ◽  
pp. 291-296 ◽  
Author(s):  
Jun Liu ◽  
Xin-qiang Wang ◽  
Yu Liu ◽  
Hui-ning Dong
Keyword(s):  
Magnetic Properties ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation ◽  
Half Metal

The Electronic Structures and Magnetic Properties of Un-doped In2O3: the First-Principle Calculation

2016 ◽  
Vol 29 (6) ◽  
pp. 1533-1537 ◽  
Author(s):  
Xue-ling Lin ◽  
Zhi-peng Chen ◽  
Hua Gao ◽  
Feng-chun Pan ◽  
Xu-ming Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structures ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation

Enhanced ferromagnetic properties of Cu doped two-dimensional GaN monolayer

2015 ◽  
Vol 26 (01) ◽  
pp. 1550009 ◽  
Author(s):  
Fayyaz Hussain ◽  
Y. Q. Cai ◽  
M. Junaid Iqbal Khan ◽  
Muhammad Imran ◽  
Muhammad Rashid ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Magnetic Coupling ◽  
First Principle ◽  
Two Dimensional ◽  
Functional Theory ◽  
Principle Calculation ◽  
First Principle Calculation ◽  
Cu Dopant

We demonstrate enhanced ferromagnetism in copper doped two-dimensional GaN monolayer ( GaN -ML). Our first principle calculation based on density functional theory predicted that nonmagnetic Cu -dopant with concentration of 6.25% to be ferromagnetic (FM) in 2D GaN layer which carries a magnetic moment of 2.0 μB per Cu atom and it is found to be long range magnetic coupling among the Cu -dopant. The Cu-dopant in 2D GaN -ML which can be explained in terms of p-d hybridization at Curie temperature and this dopant prefer the FM behavior in 2D GaN layer. Hence Cu doped 2D GaN layer shows strong magnetic properties so that it is a promising material in the field of spintronics.

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