832 citations · 6.3k across the 62 of their papers we have counts for
63 papers
Polaron Self-Trapping Rates from First Principles
Mark E. Turiansky, Joel B. Varley, Audrius Alkauskas +1
Polaron formation, also known as self-trapping, is a process akin to nonradiative carrier capture at point defects or impurities. In this work, we develop the formalism to determin…
Halide donors in monoclinic- and corundum-phase GaO and AlO
Sai Mu, Haochen Wang, Yongjoong Shin +2
We present a systematic first-principles investigation of halide impurities (F and Cl) in GaO and AlO, considering both monoclinic and corundum phases. Our study of…
Native defects and erbium impurities in CaWO4
Minseok Choi, Mark E. Turiansky, BaiQing Zhao +2
We perform hybrid density functional calculation to study the energetics, electronic properties, optical transitions, and migration barriers of native defects in CaWO. Oxygen a…
Charge dynamics at nitrogen impurities and nitrogen-vacancy centers in diamond
Chandan Kumar Vishwakarma, J. K. Nangoi, Mark E. Turiansky +1
The nitrogen-vacancy (NV) center in diamond is the prototype quantum defect that enables a variety of diamond-based quantum technologies. However, charge-state instability and spec…
Carbon in GaN as a nonradiative recombination center
Fangzhou Zhao, Hongyi Guan, Mark E. Turiansky +1
Trap-assisted nonradiative recombination has been shown to limit the efficiency of optoelectronic devices. While substitutional carbon () has been suggested to be a n…
Characterization of Chromium Impurities in -GaO
Mark E. Turiansky, Sai Mu, Lukas Razinkovas +8
Chromium is a common transition-metal impurity that is easily incorporated during crystal growth. It is perhaps best known for giving rise to the 694.3 nm (1.786 eV) emission in Cr…