4 papers
First-principles identification of optically efficient erbium centers in GaAs
Khang Hoang
Gallium arsenide (GaAs) doped with erbium (Er), a material of interest for optoelectronics and quantum information, has been studied for decades. Yet the formation of Er luminescen…
Hydrogen defects as probes of band alignment in metal-organic frameworks
Khang Hoang
Band alignment, namely the prediction of band-edge positions of semiconductors and insulators in aqueous solutions, is an important problem in physics and chemistry. Such a predict…
First-principles characterization of native defects and oxygen impurities in GaAs
Khang Hoang
We present a systematic investigation of native point defects and oxygen impurities in GaAs using hybrid functional calculations. Defects are characterized by their structural, ele…
Native defects, hydrogen impurities, and metal dopants in CeO
Khang Hoang, Michelle D. Johannes
Ceria (CeO) is a material of significant technological importance. A detailed understanding of the material's defect physics and chemistry is key to understanding and optimizin…