3 papers
cond-mat.mtrl-sci2025
Multistability of interstitial magnesium and its carrier recombined migration in gallium nitride
Yuansheng Zhao, Kenji Shiraishi, Tetsuo Narita +1
We present density-functional-theory calculations which provide a microscopic picture of the recombination-enhanced migration of interstitial Mg in GaN. We determine stable structu…
cond-mat.mtrl-sci2024
Data-Assimilated Crystal Growth Simulation for Multiple Crystalline Phases
Yuuki Kubo, Ryuhei Sato, Yuansheng Zhao +2
To determine crystal structures from an X-ray diffraction (XRD) pattern containing multiple unknown phases, a data-assimilated crystal growth (DACG) simulation method has been deve…
cond-mat.mtrl-sci2024
First-Principles Study of Recombination-Enhanced Migration of an Interstitial Magnesium in Gallium Nitride
Yuansheng Zhao, Kenji Shiraishi, Tetsuo Narita +1
The stable and metastable configurations of interstitial Mg in GaN and its migration energy barriers are studied from first-principles calculations. In addition to the conventional…