Impact of surface point defects on the electronic and optical properties of GeSi bulk materials

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This is a First-principles calculations study.

Hai Wan; Haijuan Zhang; Hsiaotao T. Bi; Li Liu; Wanyu Zhao; Shuqi Wang; Qiang Lü

doi:10.1039/d5cp02567b

January 1, 2025Physical Chemistry Chemical Physics

Impact of surface point defects on the electronic and optical properties of GeSi bulk materials

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Key Points

Surface vacancies, interstitials, and antisite defects significantly alter electronic properties.
Optical response variations are closely linked to the presence of specific defects within GeSi materials.
First-principles calculations provide a computational framework to analyze these surface defect impacts.
Understanding these properties is crucial for optimizing GeSi in electronic and optical applications.

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Implication

First-principles calculations reveal changes in electronic structure and optical response of GeSi, highlighting the role of surface defects.

Abstract

First-principles calculations reveal how surface vacancies, interstitials, and antisite defects reshape the electronic structure and optical response of Ge 0.8 Si 0.2 .

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Cite This Study

Wan et al. (2025) studied this question.

synapsesocial.com/papers/68bb4d196d6d5674bcd00c89 https://doi.org/10.1039/d5cp02567b

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Impact of surface point defects on the electronic and optical properties of GeSi bulk materials

Key Points

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Implication

Abstract

Discussion

Cite This Study

Impact of surface point defects on the electronic and optical properties of GeSi bulk materials

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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