11 citations · 19 across the 5 of their papers we have counts for
5 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…
Nuclear quantum effects in structural and elastic properties of cubic silicon carbide
Carlos P. Herrero, Rafael Ramirez, Gabriela Herrero-Saboya
Silicon carbide, a semiconducting material, has gained importance in the fields of ceramics, electronics, and renewable energy due to its remarkable hardness and resistance. In thi…
Cubic silicon carbide under tensile pressure: Spinodal instability
Carlos P. Herrero, Rafael Ramirez, Gabriela Herrero-Saboya
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here…