Tuning the magnetic behavior and transport property of graphene by introducing dopant and defect: A first-principles study

2011 ◽  
Vol 972 (1-3) ◽  
pp. 63-67 ◽  
Author(s):  
Yong-Hui Zhang ◽  
Li-Juan Yue ◽  
Li-Feng Han ◽  
Jun-Li Chen ◽  
Shao-Ming Fang ◽  
...  
Keyword(s):  
Transport Property ◽  
First Principles ◽  
Magnetic Behavior ◽  
First Principles Study

scholarly journals First-principles study on phase stability and physical properties of B-site ordered Nd2FeCrO6 double perovskite

2021 ◽  
Author(s):  
Md. Didarul Islam Bhuyan ◽  
Rana Hossain ◽  
Ferdous Ara ◽  
Mohammed Abdul Basith
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Structural Stability ◽  
Phase Stability ◽  
Ground State ◽  
First Principles ◽  
Magnetic Behavior ◽  
Double Perovskite ◽  
First Principles Study

Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_2$CrFeO$_6$ have been reported. Initially, the ground state of the parent single...

First-principles study on transport property of peapods

2012 ◽  
Vol 12 ◽  
pp. S100-S104 ◽  
Author(s):  
Takashi Kojima ◽  
Tomoya Ono
Keyword(s):  
Transport Property ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study on transport property of molecular} device with non-collinear electrodes

2018 ◽  
Vol 67 (9) ◽  
pp. 097301
Author(s):  
Yan Rui ◽  
Wu Ze-Wen ◽  
Xie Wen-Ze ◽  
Li Dan ◽  
Wang Yin
Keyword(s):  
Transport Property ◽  
First Principles ◽  
Molecular Device ◽  
First Principles Study
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