269 citations · 1.7k across the 35 of their papers we have counts for
35 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…
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…
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…
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…
Making Atomic-Level Magnetism Tunable with Light at Room Temperature
V. O. Jimenez, Y. T. H. Pham, D. Zhou +9
The capacity to manipulate magnetization in two-dimensional dilute magnetic semiconductors (2D-DMSs) using light, specifically in magnetically doped transition metal dichalcogenide…
Design of battery materials via defects and doping
Khang Hoang
This chapter illustrates the use of defect physics as a conceptual and theoretical framework for understanding and designing battery materials. It starts with a methodology for fir…