The high-pressure phase transition of TiS2 from first-principles calculations

2010 ◽  
Vol 12 (10) ◽  
pp. 1786-1790 ◽  
Author(s):  
Fei Yu ◽  
Jiu-Xun Sun ◽  
Yong-Hong Zhou
RSC Advances ◽  
2021 ◽  
Vol 11 (35) ◽  
pp. 21507-21513
Author(s):  
Ying Liu ◽  
Huifang Du ◽  
Leiming Fang ◽  
Fei Sun ◽  
Haipeng Su ◽  
...  

Combined high pressure in situ spectra with first-principles calculations, a possible hydrogen-bond assisted phase transition was proposed in tetrazole.


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