scholarly journals First-principles study of crystal and electronic structure of rare-earth cobaltites

2016 ◽  
Vol 119 (24) ◽  
pp. 244310 ◽  
Author(s):  
M. Topsakal ◽  
C. Leighton ◽  
R. M. Wentzcovitch
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
First Principles ◽  
First Principles Study ◽  
Crystal And Electronic Structure

scholarly journals First principles study of ferroelectric hexagonal compounds RInO3 (R = Dy, Er, and Ho): electronic structure, optical and dielectric properties

RSC Advances ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 4080-4086
Author(s):  
Yifei Yu ◽  
Na Lin ◽  
Haoyuan Wang ◽  
Ran Xu ◽  
Hao Ren ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Rare Earth ◽  
Dielectric Properties ◽  
First Principles ◽  
Rare Earth Ion ◽  
Electrical And Optical Properties ◽  
First Principles Study

The 4f-shell electrons of rare-earth ion R have a certain influence on both the electrical and optical properties of RInO3.

First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

2012 ◽  
Vol 54 ◽  
pp. 287-292 ◽  
Author(s):  
Xiao-Jun Chen ◽  
Meng-Xue Zeng ◽  
Ren-Nian Wang ◽  
Zhou-Sheng Mo ◽  
Bi-Yu Tang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study

First principles study on electronic structure and elastic properties of LaCd and LaHg

2014 ◽  
Author(s):  
Hansa Devi ◽  
Gitanjali Pagare ◽  
S. S. Chouhan ◽  
Sankar P. Sanyal
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study
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