Ab initio prediction of high-pressure structural phase transition in BaH2

2007 ◽  
Vol 446-447 ◽  
pp. 405-408 ◽  
Author(s):  
Wei Luo ◽  
Rajeev Ahuja
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Ab Initio ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Ab Initio Prediction

High-pressure structural phase transition and metallization in Ga2S3 under non-hydrostatic and hydrostatic conditions up to 36.4 GPa

2021 ◽  
Author(s):  
Linfei Yang ◽  
Jianjun Jiang ◽  
Lidong Dai ◽  
Haiying Hu ◽  
Meiling Hong ◽  
...  
Keyword(s):  
Phase Transition ◽  
Raman Spectroscopy ◽  
High Pressure ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Theoretical Calculations ◽  
Structural Phase

The vibrational, electrical and structural properties of Ga2S3 were explored by Raman spectroscopy, EC measurements, HRTEM and First-principles theoretical calculations under different pressure environments up to 36.4 GPa.

The structural phase transition of ammonia borane under high pressure

2020 ◽  
Vol 45 (58) ◽  
pp. 33047-33058
Author(s):  
Lan-Ting Shi ◽  
Cui-E Hu ◽  
Alfonso Muñoz ◽  
Lin-Xiang Ji ◽  
Yao-Yao Huang ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Ammonia Borane

scholarly journals High-pressure structural phase transition inMnWO4

2015 ◽  
Vol 91 (10) ◽  
Author(s):  
J. Ruiz-Fuertes ◽  
A. Friedrich ◽  
O. Gomis ◽  
D. Errandonea ◽  
W. Morgenroth ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase

Structural phase transition in Bi2Te3 under high pressure

2009 ◽  
Vol 29 (2) ◽  
pp. 245-249 ◽  
Author(s):  
A. Nakayama ◽  
M. Einaga ◽  
Y. Tanabe ◽  
S. Nakano ◽  
F. Ishikawa ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase

scholarly journals High Pressure Structural Phase Transition in AgGaTe2.

1998 ◽  
Vol 7 ◽  
pp. 327-328 ◽  
Author(s):  
S. Iwamoto ◽  
Y. Mori ◽  
K. Takarabe ◽  
S. Minomura
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase

scholarly journals High-pressure formation of antimony nitrides: a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 2448-2452
Author(s):  
Lili Lian ◽  
Yan Liu ◽  
Da Li ◽  
Shuli Wei
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Structural Phase ◽  
First Principles Study ◽  
Bonding Properties ◽  
First Principles Method

The structural phase transition, electronic properties, and bonding properties of antimony nitrides have been studied by using a first principles method.

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