First-principles study on electronic structures and color centers in BaWO4 crystal with barium vacancy

2009 ◽  
Vol 404 (8-11) ◽  
pp. 1538-1543 ◽  
Author(s):  
Haiyan Zhang ◽  
Tingyu Liu ◽  
Qiren Zhang ◽  
Xi’en Wang ◽  
Xiaofeng Guo ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Color Centers ◽  
First Principles Study

First-principles study on electronic structures of BaWO4 crystals containing F-type color centers

2008 ◽  
Vol 69 (7) ◽  
pp. 1815-1819 ◽  
Author(s):  
Haiyan Zhang ◽  
Tingyu Liu ◽  
Qiren Zhang ◽  
Xi’en Wang ◽  
Jigang Yin ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Color Centers ◽  
First Principles Study

First-principles study of electronic structures of CdMoO4 crystal containing F-type color centers

2008 ◽  
Vol 245 (1) ◽  
pp. 132-135 ◽  
Author(s):  
Xi'en Wang ◽  
Tingyu Liu ◽  
Qiren Zhang ◽  
Haiyan Zhang ◽  
Jigang Yin ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Color Centers ◽  
First Principles Study

scholarly journals Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3058-3070
Author(s):  
Yu Zhou ◽  
Lan-Ting Shi ◽  
A-Kun Liang ◽  
Zhao-Yi Zeng ◽  
Xiang-Rong Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Thermodynamic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Pressure Range ◽  
Mechanical Stability ◽  
First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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