80 citations · 127 across the 4 of their papers we have counts for
3 papers · 1 filter
As vacancies, Ga antisites and Au impurities in Zincblende and Wurtzite GaAs nanowire segments from first principles
Yaojun A. Du, Sung Sakong, Peter Kratzer
In this paper some specific issues related to point defects in GaAs nanowires are addressed with the help of density functional theory calculations. These issues mainly arise from…
Diffusion of hydrogen within idealised grains of bcc-Fe: A kinetic Monte Carlo study
Yaojun A. Du, Jutta Rogal, Ralf Drautz
Structural defects in materials such as vacancies, grain boundaries, and dislocations may trap hydrogen and a local accumulation of hydrogen at these defects can lead to the degrad…
Fast Diffusion Mechanism of Silicon Tri-interstitial Defects
Yaojun A. Du, Stephen A. Barr, Kaden R. A. Hazzard +3
We reveal the microscopic self-diffusion process of compact tri-interstitials in silicon using a combination of molecular dynamics and nudged elastic band methods. We find that the…