First‐Principles Study of Twin Boundaries and Stacking Faults in β‐Ga2O3

First‐Principles Study of Twin Boundaries and Stacking Faults in β‐Ga2O3

Abstract This study uses density functional theory calculations to explore the energetics and electronic structures of planar defects in monoclinic β‐Ga2O3, including twin boundaries (TBs) and stacking faults (SFs). TBs on the (001)A, (001)B, (100)A, (100)B, and (−102) planes are examined; it is fou...

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Bibliographic Details
Main Authors: Mengen Wang, Sai Mu, James S. Speck, Chris G. Van de Walle
Format: Article
Language:English
Published: Wiley-VCH 2025-01-01
Series:Advanced Materials Interfaces
Subjects:
density functional theory
gallium oxide
stacking faults
twin boundaries
Online Access:https://doi.org/10.1002/admi.202300318
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