Ground state structures of tantalum tetraboride and triboride: an ab initio study

2016 ◽  
Vol 18 (27) ◽  
pp. 18074-18080 ◽  
Author(s):  
Shuli Wei ◽  
Da Li ◽  
Yunzhou Lv ◽  
Zhao Liu ◽  
Chunhong Xu ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Ground State ◽  
First Principle ◽  
Ab Initio Study ◽  
Space Group ◽  
Ground State Structures

Using first-principle methods, ground-state TaB3 with the monoclinic C2/m space group and high-pressure TaB4 with the orthorhombic Amm2 space group have been found.

Ground State Structures of Boron-Rich Rhodium Boride: An Ab Initio Study

2018 ◽  
Vol 35 (1) ◽  
pp. 016401
Author(s):  
Bin-Hua Chu ◽  
Yuan Zhao ◽  
Jin-Liang Yan ◽  
Da Li
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Ab Initio Study ◽  
Ground State Structures

Ab initio study of MgSiO3 low-clinoenstatite at high pressure

2001 ◽  
Vol 86 (5-6) ◽  
pp. 762-766 ◽  
Author(s):  
Wenhui Duan ◽  
Bijaya B. Karki ◽  
Renata M. Wentzcovitch ◽  
B.L. Gu
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Ab Initio Study

scholarly journals Ab Initio Study of Ground-state CS Photodissociation via Highly Excited Electronic States

2019 ◽  
Vol 882 (2) ◽  
pp. 86 ◽  
Author(s):  
Zhongxing Xu ◽  
Nan Luo ◽  
S. R. Federman ◽  
William M. Jackson ◽  
Cheuk-Yiu Ng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Electronic States ◽  
Ab Initio Study ◽  
Excited Electronic States
Sign in / Sign up

Export Citation Format

Share Document