First Principles Study of Structural Stability, Elastic Properties, and Electronic Structures of Y-Doped Mg2Si

2018 ◽  
Vol 48 (3) ◽  
pp. 1582-1589 ◽  
Author(s):  
Wenxin Wang ◽  
Yuyan Ren ◽  
Yingmin Li
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study

First principles study on the elastic properties and electronic structures of (Fe, Cr)3C

2009 ◽  
Vol 45 (4) ◽  
pp. 986-992 ◽  
Author(s):  
C.T. Zhou ◽  
B. Xiao ◽  
J. Feng ◽  
J.D. Xing ◽  
X.J. Xie ◽  
...  
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study

scholarly journals First-principles study on the electronic structures and structural stability of Cd-doped ZnO

2011 ◽  
Vol 60 (3) ◽  
pp. 037101
Author(s):  
Tang Xin ◽  
Zhang Qing-Yu ◽  
Lyu Hai-Feng ◽  
Pu Chun-Ying
Keyword(s):  
Structural Stability ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study ◽  
Doped Zno

First principles study of the elastic properties of Li2MnSiO4−ySy

2015 ◽  
Vol 3 (10) ◽  
pp. 5449-5456 ◽  
Author(s):  
Lin Zhu ◽  
Lin Li ◽  
Taimin Cheng ◽  
Dongsheng Xu
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Silicate Materials ◽  
Charge Discharge

First principles calculations were performed to investigate the elastic properties of Li2MnSiO4−ySy (y = 0, 0.5, 1, 2, 4) with the aim of improving the structural stability of silicate materials during charge/discharge cycles.

First-principles study of structural stability and elastic properties of the ordered Si0.5Ge0.5 alloy under high pressure

2011 ◽  
Vol 248 (5) ◽  
pp. 1135-1138 ◽  
Author(s):  
Aimin Hao ◽  
Lixin Zhang ◽  
Zhongming Gao ◽  
Yan Zhu ◽  
Liu Riping
Keyword(s):  
High Pressure ◽  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study
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