77 citations · 406 across the 16 of their papers we have counts for
16 papers
Theory of reactions between hydrogen and group-III acceptors in silicon
José Coutinho, Diana Gomes, Vitor J. B. Torres +3
The thermodynamics of several reactions involving atomic and molecular hydrogen with group-III acceptors is investigated. The results provide a first-principles-level account of th…
Theory of shallow and deep boron defects in 4H-SiC
Vitor J. B. Torres, Ivana Capan, José Coutinho
Abstract Despite advances toward improving the quality of -type 4H-SiC substrates and layers, we still have no model capable of accounting for the multitude of boron-related opt…
Crucial role of vibrational entropy in the Si(111)-77 surface structure stability
Ruslan A. Zhachuk, José Coutinho
We investigate the relative thermodynamic stability of the , , , and infinitely large structures related to the dimers-adatoms-stacking fau…
Dynamics of hydrogen in silicon at finite temperatures from first-principles
Diana Gomes, Vladimir P. Markevich, Anthony R. Peaker +1
Hydrogen point defects in silicon still hold unsolved problems, whose disclosure is fundamental for future advances in Si technologies. Among the open issues is the mechanism for t…
Silicon carbide diodes for neutron detection
José Coutinho, Vitor J. B. Torres, Ivana Capan +11
In the last two decades we have assisted to a rush towards finding a He3-replacing technology capable of detecting neutrons emitted from fissile isotopes. The demand stems from app…
Formation and dissociation reactions of complexes involving interstitial carbon and oxygen defects in silicon
H. M. Ayedh, E. V. Monakhov, J. Coutinho
We present a detailed first-principles study which explores the configurational space along the relevant reactions and migration paths involving the formation and dissociation of i…