scholarly journals Role of the electronic structure in the morphotropic phase boundary of TbxDy1−xCo2 studied by first-principle calculation

2016 ◽  
Vol 689 ◽  
pp. 1083-1087 ◽  
Author(s):  
Dongyan Zhang ◽  
Xiaohua Ma ◽  
Sen Yang ◽  
Xiaoping Song
Keyword(s):  
Electronic Structure ◽  
Phase Boundary ◽  
Morphotropic Phase Boundary ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation

First Principle Calculation of Electronic Structure and Optical Properties of ZnNb2-xTaxO6 (x=0-2.0)

2020 ◽  
Vol 41 (1) ◽  
pp. 38-47
Author(s):  
闫宇星 YAN Yu-xing ◽  
汪 帆 WANG Fan ◽  
李付绍 LI Fu-shao ◽  
张珏璇 ZHANG Jue-xuan ◽  
王红成 WANG Hong-chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation

Electronic structure and thermoelectric properties of Bi 2-x Sb x Te 3 (x = 0, 0.33, 0.67) by first principle calculation

2018 ◽  
Vol 5 (6) ◽  
pp. 14150-14154
Author(s):  
S. Ruamruk ◽  
K. Singsoog ◽  
P. Pilasuta ◽  
S. Paengson ◽  
W. Namhongsa ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation

First Principle Calculation of The Electronic Structure and Optical Properties of Rh-doped Ru2Si3Semiconductors

2012 ◽  
Vol 33 (9) ◽  
pp. 960-965
Author(s):  
崔冬萌 CUI Dong-meng ◽  
贾锐 JIA Rui ◽  
谢泉 XIE Quan ◽  
赵珂杰 ZHAO Ke-jie
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation

The electronic structure of polymeric complex Co(thiazole)2Cl2 studied by first-principle calculation

2006 ◽  
Vol 360 (2) ◽  
pp. 380-383 ◽  
Author(s):  
Y.S. Zhang ◽  
K.L. Yao ◽  
Z.L. Liu ◽  
L.H. Yu ◽  
X.L. Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principle ◽  
Polymeric Complex ◽  
Principle Calculation ◽  
First Principle Calculation
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