High-Pressure Structural Phase Transition of Alkali Hydride Compounds: An Ab Initio Study

2021 ◽  
pp. 139-148
Author(s):  
Agnibha Das Majumdar ◽  
Neha Munjal
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Ab Initio ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Ab Initio Study

Elasticity and structural phase transition in TiH and VH: An ab initio study

2013 ◽  
Author(s):  
S. Kanagabrabha ◽  
M. Santhosh ◽  
G. Sudhapriyanga ◽  
A. T. Asvinimeenaatci ◽  
R. Rajeswarapalanichamy ◽  
...  
Keyword(s):  
Phase Transition ◽  
Ab Initio ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Ab Initio Study

scholarly journals Pressure induced structural phase transition in SnS — An ab initio study

2006 ◽  
Vol 29 (1) ◽  
pp. 25-28 ◽  
Author(s):  
M. Rajagopalan ◽  
G. Kalpana ◽  
V. Priyamvadha
Keyword(s):  
Phase Transition ◽  
Ab Initio ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Ab Initio Study

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.

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