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cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2026
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…