Generation of almost rectangular, square, and hexagonal two-dimensional supercells

ABSTRACTThis study outlines procedures to make 2D supercells, of arbitrary crystals and orientations, with a given size and are almost commensurate with rectanglar, square, or hexagonal lattices. Quantitative measures on the commensurateness, or alikeness, are proposed. The outlined algorithms would...

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Bibliographic Details
Main Author: Yoyo Hinuma
Format: Article
Language:English
Published: Taylor & Francis Group 2024-12-01
Series:Science and Technology of Advanced Materials: Methods
Subjects:
Online Access:https://www.tandfonline.com/doi/10.1080/27660400.2023.2300254