56 citations · 145 across the 9 of their papers we have counts for
9 papers
Hydrogen reactions with dopants and impurities in solar silicon from first principles
José Coutinho, Diana Gomes, Vitor J. B. Torres +3
We present a theoretical account of some of the most likely hydrogen-related reactions with impurities in n-type and p-type solar-grade silicon. These include reactions with dopant…
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…
Multiscale insight into the Cd1-xZnxTe vibrational-mechanical properties -- High-pressure experiments and ab initio calculations
Toni Alhaddad, Mohamad Shoker, Olivier Pages +10
The Cd1-xZnxTe semiconductor alloy is a regular system regarding its macroscopic mechanic properties in that its experimental bulk modulus exhibits a linear x-dependence, in line w…
Vibrational and mechanical properties of the highly mismatched (Cd,Be)Te semiconductor alloy : Experiment and ab initio calculations
A. Elmahjoubi, M. B. Shoker, O. Pages +18
The (Cd, Be)Te semiconductor alloy that exhibits a dramatic mismatch in bond covalency and stiffness clarifying its vibrational and mechanical properties is used as a benchmark to…
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…
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…
Theory of the carbon vacancy in -SiC: crystal field and pseudo Jahn-Teller effects
José Coutinho, Vitor J. B. Torres, Kamel Demmouche +1
The carbon vacancy in -SiC is a powerful minority carrier recombination center and a major cause of degradation of SiC-based devices. Despite the extensiveness of the literatur…
A first-principles model of copper-boron interactions in Si: implications for the light-induced degradation of solar Si
E. Wright, J. Coutinho, S. Öberg +1
The recent discovery that Cu contamination of Si combined with light exposure has a significant detrimental impact on carrier life-time has drawn much concern within the solar-Si c…
Mössbauer parameters of Fe-related defects in group-IV semiconductors: first principles calculations
E. Wright, J. Coutinho, V. J. B. Torres +1
We employ a combination of pseudopotential and all-electron density functional calculations, to relate the structure of defects in supercells to the isomer shifts and quadrupole sp…