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8 papers · 2 filters
Exploration of a new reconstructed structure on GaN(0001) surface by Bayesian optimization
Akira Kusaba, Yoshihiro Kangawa, Tetsuji Kuboyama +1
GaN(0001) surfaces with Ga- and H-adsorbates are fundamental stages for epitaxial growth of semiconductor thin films. We explore stable surface structures with nanometer scale by t…
Determining the Twist Angle of Bilayer Graphene by Machine Learning Analysis of its Raman Spectrum
Pablo Solís-Fernández, Hiroki Ago
With the increasing interest in twisted bilayer graphene (tBLG) of the past years, fast, reliable, and non-destructive methods to precisely determine the twist angle are required.…
Isotopic effect of proton conductivity in barium-zirconates for various hydrogen-containing atmospheres
M. Khalid Hossain, T. Yamamoto, K. Hashizume
Among various perovskite proton conducting oxides, Y-doped BaZrO3 perovskite is a promising material for electrochemical hydrogen devices due to the good chemical stability and hig…
Data cluster analysis and machine learning for classification of twisted bilayer graphene
Tom Vincent, Kenji Kawahara, Vladimir Antonov +2
Twisted bilayer graphene (TBLG) has emerged as an exciting new material with tunable electronic properties ranging from superconductivity to correlated insulating phases. But curre…
Electronic Origin of Non-Zone-Center Phonon Condensations: Octahedral Rotations as A Case Study
Suguru Yoshida, Hirofumi Akamatsu, Katsuro Hayashi
Unstable zone-boundary phonon modes drive atomic displacements linked to a rich array of properties. Yet, the electronic origin of the instability remains to be clearly explained.…
Polarization doping ab initio verification of the concept charge conservation and nonlocality
Ashfaq Ahmad, Pawel Strak, Pawel Kempisty +10
In this work, we study the emergence of polarization doping in AlxGa1-xN layers with graded composition from a theoretical viewpoint. We demonstrate that the charge conservation la…
Electrostatic potential measurement at the Pt/TiO interface using electron holography
Hiroshi Nakajima, Toshiaki Tanigaki, Takaaki Toriyama +3
The interface of Pt/TiO plays an essential role in device engineering and chemical reactions. Here, we report the electrostatic potential distribution of a Pt/TiO interface…
Data-driven sensitivity analysis in a total-reflection high-energy positron diffraction (TRHEPD) experiment of the SiON / 6H-SiC (0001)-() R30
Takeo Hoshi, Daishiro Sakata, Shotaro Oie +4
The present article proposes a data analysis method for experimentally-derived measurements, which consists of an auto-optimization procedure and a sensitivity analysis. The method…