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cond-mat.mtrl-sci2020
Nonrad: Computing Nonradiative Capture Coefficients from First Principles
Mark E. Turiansky, Audrius Alkauskas, Manuel Engel +5
Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonr…
cond-mat.mtrl-sci2020
Electron-Phonon Interactions Using the PAW Method and Wannier Functions
Manuel Engel, Martijn Marsman, Cesare Franchini +1
We present an ab-initio density-functional-theory approach for calculating electron-phonon interactions within the projector augmented-wave method. The required electron-phonon mat…