2 papers
cond-mat.mtrl-sci2018
First-principles calculations of iron-hydrogen reactions in silicon
Paulo Santos, José Coutinho, Sven Öberg
Controlling the contamination of silicon materials by iron, especially dissolved interstitial iron (Fe), is a longstanding problem with recent developments and sever…
cond-mat.mtrl-sci2018
Optoelectronics and defect levels in hydroxyapatite by first-principles
Leon A. Avakyan, Ekaterina V. Paramonova, José Coutinho +3
Hydroxyapatite (HAp) is an important component of mammal bones and teeth, being widely used in prosthetic implants. Despite the importance of HAp in medicine, several promising app…