61 citations · 169 across the 8 of their papers we have counts for
8 papers
Defects and Oxygen Impurities in Ferroelectric Wurtzite AlScN Alloys
Naseem Ud Din, Cheng-Wei Lee, Geoff L. Brennecka +1
III-nitrides and related alloys are widely used for optoelectronics and as acoustic resonators. Ferroelectric wurtzite nitrides are of particular interest because of their potentia…
Electron dynamics in extended systems within real-time time-dependent density functional theory
Alina Kononov, Cheng-Wei Lee, Tatiane Pereira dos Santos +10
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe…
Ternary Wide Band Gap Oxides for High-Power Electronics Identified Computationally
Emily McDonald Garrity, Cheng-Wei Lee, Prashun Gorai +3
As electricity grids become more renewable energy-compliant, there will be a need for novel semiconductors that can withstand high power, high voltage, and high temperatures. Wide…
Transition metal impurities in Silicon: Computational search for a semiconductor qubit
Cheng-Wei Lee, Meenakshi Singh, Adele Tamboli +1
Semiconductors offer a promising platform for physical implementation of qubits, but their broad adoption is presently hindered by limited scalability and/or very low operating tem…
Real-time exciton dynamics with time-dependent density-functional theory
Jiuyu Sun, Cheng-Wei Lee, Alina Kononov +2
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation…
Multi-scale simulations of electron and ion dynamics in self-irradiated silicon
Cheng-Wei Lee, James A. Stewart, Stephen M. Foiles +2
The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multi-scale problem and understanding of the early stag…
Hot-electron mediated ion diffusion in proton-irradiated magnesium oxide
Cheng-Wei Lee, André Schleife
Highly energetic ions that impact materials have applications from semiconductor industry to medicine, and are fundamentally interesting as they trigger multi-length and time-scale…
Electronic stopping and proton dynamics in InP, GaP, and InGaP from first principles
Cheng-Wei Lee, André Schleife
The phosphide-based III-V semiconductors InP, GaP, and InGaP are promising materials for solar panels in outer space and radioisotope batteries, for which lifetime…