Phase Stability and Thermo-Physical Properties of Nickel-Aluminum Binary Chemically Disordered Systems via First-Principles Study

2019 ◽  
Author(s):  
Zhiqin Wen ◽  
Yuhong Zhao ◽  
Jianhua Li ◽  
Hua Hou
Keyword(s):  
Physical Properties ◽  
Phase Stability ◽  
First Principles ◽  
Disordered Systems ◽  
Nickel Aluminum ◽  
First Principles Study ◽  
Thermo Physical Properties

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...

Phase Stability and Physical Properties of Manganese Borides: A First-Principles Study

2011 ◽  
Vol 115 (43) ◽  
pp. 21429-21435 ◽  
Author(s):  
Bing Wang ◽  
Xiang Li ◽  
Yuan Xu Wang ◽  
Yu Fei Tu
Keyword(s):  
Physical Properties ◽  
Phase Stability ◽  
First Principles ◽  
First Principles Study
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