From the 1 of 7 linked papers with an AI index.
7 papers
Tiling decomposition multiplicity predicts stability of GaN(0001) surface reconstructions
Tetsuji Kuboyama, Akira Kusaba, Karol Kawka +1
The paper shows that the stability of GaN(0001) surface reconstructions can be predicted by counting how many rhombus tilings correspond to each adatom configuration, allowing exha…
PyAPX: Python toolkit for atomic configuration pattern exploration
Akira Kusaba, Tetsuji Kuboyama, Karol Kawka +2
In materials discovery, the integration of first-principles calculations with machine learning techniques has been actively studied for two key tasks: crystal structure prediction,…
Hydrogen at GaN(0001) surface control of Fermi level pinning: Mg activation of p-type conductivity -- Nakamura process deciphered
Konrad Sakowski, Pawel Strak, Pawel Kempisty +2
Ab initio calculations were used to disentangle the mystery of Nakamura activation of p-type in Mg doped MOVPE grown gallium nitride, the key process leading to the 2014 Nobel Priz…
Charge control of semiconductor surfaces as elucidated by ab initio calculations a review
StanisÅaw Krukowski, Pawel Kempisty, Pawel Strak
Recent progress in the investigations of the charge role in semiconductor surfaces is reviewed.
Exploration of stable atomic configurations in graphene-like BCN systems by Bayesian optimization
Taichi Hara, Akira Kusaba, Yoshihiro Kangawa +4
h-BCN is an intriguing material system where the bandgap varies considerably depending on the atomic configuration, even at a fixed composition. Exploring stable atomic configurati…
Limited Diffusion of Silicon in GaN: A DFT Study Supported by Experimental Evidence
Karol Kawka, Pawel Kempisty, Akira Kusaba +4
Silicon (Si) is the primary donor dopant in gallium nitride (GaN), introduced through epitaxial growth or ion implantation. However, precise control over Si diffusion remains a cri…