79 citations · 324 across the 8 of their papers we have counts for
5 papers · 1 filter
Spin-phonon relaxation from a universal \emph{ab initio} density-matrix approach
Junqing Xu, Adela Habib, Sushant Kumar +3
Designing new quantum materials with long-lived electron spin states urgently requires a general theoretical formalism and computational technique to reliably predict intrinsic spi…
Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles
Feng Wu, Tyler Smart, Junqing Xu +1
Identification and design of defects in two-dimensional (2D) materials as promising single photon emitters (SPE) requires a deep understanding of underlying carrier recombination m…
Combining Landau Zener Theory and Kinetic Monte Carlo Sampling for Small Polaron Mobility of Doped BiVO4
Feng Wu, Yuan Ping
Transition metal oxides such as \ce{BiVO4} are promising materials as photoelectrodes in solar-to-fuel conversion applications. However, their performance is limited by the low car…
Fundamental Principles for Calculating Charged Defect Ionization Energies in Ultrathin Two-Dimensional Materials
Tyler J. Smart, Feng Wu, Marco Govoni +1
Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize thei…
First-principles Engineering of Charged Defects for Two-dimensional Quantum Technologies
Feng Wu, Galatas Andrew, Ravishankar Sundararaman +2
Charged defects in 2D materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. Advancement of these technologies requires rati…