125 citations · 133 across the 3 of their papers we have counts for
4 papers
Insight into the inclusion of heteroatom impurities in Silicon structures
Rita Maji, Eleonora Luppi, Elena Degoli +1
The bonding properties of tilt boundary in poly-silicon and the effect of interstitial impurities are investigated by first-principles. In order to obtain thorough information on t…
The role of Si vacancies in the segregation of O, C, and N at silicon grain boundaries: An ab initio study
Rita Maji, Julia Contreras-García, Nathalie Capron +2
Grain boundaries (GBs) are defects originating in multi-crystalline silicon during crystal growth for device Si solar cell fabrication. The presence of GBs changes the coordination…
Strong correlation between bonding network and critical temperature in hydrogen-based superconductors
Francesco Belli, J. Contreras-Garcia, Ion Errea
Recent experimental discoveries show that hydrogen-rich compounds can reach room temperature superconductivity, at least at high pressures. Also that there exist metallic hydrogen-…
Overcoming Distrust in Solid State Simulations: Adding Error Bars to Computational Data
Francesca Peccati, Rubén Laplaza, Julia Contreras-García
Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulati…