Ab initio Insights into Radiation-Induced Defects and Band-Gap Evolution in α-, β -, and κ -Ga ₂ O ₃

Mukesh Jakhar; Abhishek Kumar; Ambuj Tripathi; B K Sahu

doi:10.1039/d5tc04386g

January 1, 2026Journal of Materials Chemistry C

Ab initio Insights into Radiation-Induced Defects and Band-Gap Evolution in α-, β -, and κ -Ga ₂ O ₃

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Key Points

This research investigates how radiation induces defects in gallium oxide materials and their effect on band-gap evolution.
Ab initio molecular dynamics simulations were employed to analyze material properties.
Three phases of gallium oxide (α, β, κ) were studied under radiation exposure.
Calculations of defect formation and band-gap variations were performed.
Radiation-induced defects significantly altered the band-gap properties across different phases of gallium oxide.
α-Ga2O3 displayed notable variations in band-gap compared to β-Ga2O3 and κ-Ga2O3.
Identified defects may impact the efficiency and reliability of electronic devices.

Implication

Ab initio analysis reveals how radiation impacts band-gap evolution and defects in gallium oxide, suggesting implications for electronic efficiency.

Abstract

The impact of radiation-induced damage on material properties is a critical parameter that determines the performance and reliability of electronic and optoelectronic devices. In this paper, using ab initio molecular...

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Jakhar et al. (2026) studied this question.

synapsesocial.com/papers/6997fa26ad1d9b11b34532e1 https://doi.org/10.1039/d5tc04386g

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Ab initio Insights into Radiation-Induced Defects and Band-Gap Evolution in α-, β -, and κ -Ga ₂ O ₃

Key Points

Implication

Abstract

Discussion

Cite This Study

Ab initio Insights into Radiation-Induced Defects and Band-Gap Evolution in α-, β -, and κ -Ga ₂ O ₃

Key Points

Implication

Abstract

Discussion

Cite This Study

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