Theoretical Study of Pressure-Induced Phase Transitions in Sb<sub>2</sub>S<sub>3</sub>, Bi<sub>2</sub>S<sub>3</sub>, and Sb<sub>2</sub>Se<sub>3</sub>

Theoretical Study of Pressure-Induced Phase Transitions in Sb<sub>2</sub>S<sub>3</sub>, Bi<sub>2</sub>S<sub>3</sub>, and Sb<sub>2</sub>Se<sub>3</sub>

We report an ab initio study of Sb<sub>2</sub>S<sub>3</sub>, Sb<sub>2</sub>Se<sub>3</sub>, and Bi<sub>2</sub>S<sub>3</sub> sesquichalcogenides at hydrostatic pressures of up to 60 GPa. We explore the possibility that the <i&g...

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Bibliographic Details
Main Authors: Estelina Lora da Silva, Mario C. Santos, Plácida Rodríguez-Hernández, Alfonso Muñoz, Francisco Javier Manjón
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Crystals
Subjects:
density functional theory
high-pressure effects
lattice dynamics
Online Access:https://www.mdpi.com/2073-4352/13/3/498

Internet

https://www.mdpi.com/2073-4352/13/3/498

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