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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…
Coordination-Sensitive Nanoscale Analysis of Defect-Driven Phase Transformation in Si-Doped (AlXGa1-X)2O3
Shaon Das, Jith Sarker, Christopher Chae +5
Defect-driven phase instability critically influences the structural reliability of ultrawide bandgap oxides, yet direct nanoscale metrics linking local chemistry to structural tra…
Quantitative Modeling of Point Defects in -Ga2O3 Combining Hybrid Functional Energetics with Semiconductor and Processes Thermodynamics
Khandakar Aaditta Arnab, Megan Stephens, Isaac Maxfield +5
B-gallium oxide (B-Ga2O3) is of high interest for power electronics because of its unique combination of melt growth, epitaxial growth, n-type dopability, ultrawide bandgap, and hi…
Dynamic Competition Between Hubbard and Superexchange Interactions Selectively Localizes Electrons and Holes Through Polarons
Jocelyn L. Mendes, Hyun Jun Shin, Jae Yeon Seo +4
Controlling the effects of photoexcited polarons in transition metal oxides can enable the long timescale charge separation necessary for renewable energy applications as well as c…
Dangling bonds as possible contributors to charge noise in silicon and silicon-germanium quantum dot qubits
Joel B. Varley, Keith G. Ray, Vincenzo Lordi
Spin qubits based on Si and SiGe quantum dot architectures exhibit among the best coherence times of competing quantum computing technologies, yet they still suffer f…
Acceptor and compensating donor doping of single crystalline SnO (001) films grown by molecular beam epitaxy and its perspectives for optoelectronics and gas-sensing
Kingsley Egbo, Jonas Lähnemann, Andreas Falkenstein +2
(La and Ga)-doped tin monoxide (stannous oxide, tin (II) oxide, SnO) thin films were grown by plasma-assisted and suboxide molecular beam epitaxy with dopant concentrations ranging…