28 citations · 51 across the 11 of their papers we have counts for
11 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…
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…
Elastic properties of silicene: Spinodal instabilities
Carlos P. Herrero, Rafael Ramirez
Silicene, a two-dimensional (2D) allotrope of silicon, has attracted significant interest for its electronic and mechanical properties, alongside its compatibility with various sub…
Quantum nuclear motion in silicene: Assessing structural and vibrational properties through path-integral simulations
Carlos P. Herrero, Miguel del Canizo
This paper explores the interplay between quantum nuclear motion and anharmonicity, which causes nontrivial effects on the structural and dynamical characteristics of silicene, a t…
Water at negative pressure: Nuclear quantum effects
Carlos P. Herrero, Rafael Ramirez
Various condensed phases of water, spanning from the liquid state to multiple ice phases, have been systematically investigated under extreme conditions of pressure and temperature…
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…