Prediction of New Structure, Phase Transition, Mechanical, and Thermodynamic Properties of Nb3Si

2017 ◽  
Vol 19 (6) ◽  
pp. 1700099 ◽  
Author(s):  
Yong Pan
Keyword(s):  
Phase Transition ◽  
Thermodynamic Properties ◽  
Structure Phase ◽  
Structure Phase Transition

Domain structure, phase transition and dielectric properties of ferroelastics of the NaFe(MoO4)2type

1978 ◽  
Vol 21 (1) ◽  
pp. 579-581 ◽  
Author(s):  
E. V. Sinyakov ◽  
E. F. Dudnik ◽  
T. M. Stolpakova ◽  
O. L. Orlov
Keyword(s):  
Phase Transition ◽  
Dielectric Properties ◽  
Domain Structure ◽  
Structure Phase ◽  
Structure Phase Transition

The structure, phase transition and molecular dynamics of [C(NH2)3]3[Sb2Br9]

2005 ◽  
Vol 17 (15) ◽  
pp. 2509-2528 ◽  
Author(s):  
P Szklarz ◽  
J Zaleski ◽  
R Jakubas ◽  
G Bator ◽  
W Medycki ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Structure Phase ◽  
Structure Phase Transition

Crystal structure, phase transition and properties of indium(iii) sulfide

2020 ◽  
Vol 49 (44) ◽  
pp. 15903-15913
Author(s):  
Paweł Wyżga ◽  
Wilder Carrillo-Cabrera ◽  
Lev Akselrud ◽  
Igor Veremchuk ◽  
Jörg Wagler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Dft Calculations ◽  
Crystal Structures ◽  
Thermoelectric Properties ◽  
Structural Part ◽  
Β Phase ◽  
Structure Phase ◽  
Structure Phase Transition

This report presents studies of crystal structures of α- and β-In2S3 as well as a mechanism of the 1st order α–β phase transition. The structural part is supported by an analysis of thermoelectric properties and by DFT calculations.

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