Electronic, structural and ground state properties of 3d transition metal mononitrides: A first principles study

2013 ◽  
Author(s):  
R. Rajeswarapalanichamy ◽  
M. Santhosh ◽  
G. Sudha Priyanga ◽  
A. T. Asvini Meenaatci ◽  
S. Kanagaprabha
Keyword(s):  
Transition Metal ◽  
Ground State ◽  
First Principles ◽  
First Principles Study ◽  
Ground State Properties

First-principles study of ground-state properties of U2Mo

2014 ◽  
Vol 16 (48) ◽  
pp. 26974-26982 ◽  
Author(s):  
Xin Wang ◽  
Xiyue Cheng ◽  
Yuting Zhang ◽  
Ronghan Li ◽  
Weiwei Xing ◽  
...  
Keyword(s):  
Intermetallic Compound ◽  
Electronic Properties ◽  
Ground State ◽  
First Principles ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Ground State Properties

By means of first-principles calculations, we have systematically investigated the structural, elastic, vibrational, thermal and electronic properties of the ground-state phase for the intermetallic compound U2Mo.

scholarly journals First-principles study of ground-state properties and high pressure behavior of ThO2

2010 ◽  
Vol 399 (2-3) ◽  
pp. 181-188 ◽  
Author(s):  
Bao-Tian Wang ◽  
Hongliang Shi ◽  
Wei-Dong Li ◽  
Ping Zhang
Keyword(s):  
High Pressure ◽  
Ground State ◽  
First Principles ◽  
Pressure Behavior ◽  
First Principles Study ◽  
Ground State Properties

First-principles study of ground state properties of ZrH2

2011 ◽  
Vol 50 (12) ◽  
pp. 3297-3302 ◽  
Author(s):  
Peng Zhang ◽  
Bao-Tian Wang ◽  
Chao-Hui He ◽  
Ping Zhang
Keyword(s):  
Ground State ◽  
First Principles ◽  
First Principles Study ◽  
Ground State Properties
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