2 citations · 2 across the 3 of their papers we have counts for
3 papers
Elastic properties of cubic silicon carbide with Si vacancies
Carlos P. Herrero, Eduardo R. Hernandez, Gabriela Herrero-Saboya
We investigate how silicon vacancies modify the elastic response and mechanical stability of cubic 3C-SiC. Our approach employs path-integral molecular dynamics simulations, includ…
An accurate alternative to hybrid functionals for germanium: DFT+
Abdulgaffar Abdurrazaq, Ruggero Lot, Antoine Jay +5
The accuracy of bulk property predictions in density functional theory (DFT) calculations depends on the choice of exchange-correlation functional. While the Perdew-Burke-Ernzerhof…
Pressure-Induced Mechanical Instabilities in Cubic SiC: Structural and Electronic Properties
Carlos P. Herrero, Eduardo R. Hernandez, Gabriela Herrero-Saboya +1
Silicon carbide is widely used in electronics, ceramics, and renewable energy due to its exceptional hardness and resistance. In this study, we investigate the effects of hydrostat…