量子材料の発見を加速する研究（Speeding quantum materials discovery）

2025-09-23 オークリッジ国立研究所（ORNL）

On the left is an artistic depiction of a twisted double layer forming a moiré pattern created by overlapping 2D sheets; each layer’s structure is shown separately on the right. Credit: Sumner Harris/ORNL, U.S. Dept. of Energy

＜関連情報＞

• https://www.ornl.gov/news/scientists-visualize-atomic-structures-moire-materials
• https://pubs.acs.org/doi/10.1021/acs.nanolett.5c01460

Gomb-Net を使用した二層モアレ材料の原子識別 Atom Identification in Bilayer Moiré Materials with Gomb-Net

Austin C. Houston,Sumner B. Harris,Hao Wang,Yu-Chuan Lin,David B. Geohegan,Kai Xiao,Gerd Duscher,
Nano Letters  Published June 2, 2025
DOI:https://doi.org/10.1021/acs.nanolett.5c01460

Abstract

Moiré patterns in van der Waals bilayer materials complicate the analysis of atomic-resolution images, hindering the atomic-scale insight typically attainable with scanning transmission electron microscopy. Here, we report a method to detect the positions and identities of atoms in each of the individual layers that compose twisted bilayer heterostructures. We developed a deep learning model, Gomb-Net, which identifies the coordinates and atomic species in each layer, deconvoluting the moiré pattern. This enables layer-specific mapping of atomic positions and dopant distributions, unlike other commonly used segmentation models which struggle with moiré-induced complexity. Using this approach, we explored the Se atom substitutional site distribution in a twisted fractional Janus WS₂-WS_2(1–x)Se_2x heterostructure and found that layer-specific implantation sites are unaffected by the moiré pattern’s local energetic or electronic modulation. This advancement enables atom identification within material regimes where it was not possible before, opening new insights into previously inaccessible material physics.