Vacancy and Strain Effects on the Stability and Electronic Properties of 2D-Mg Intercalated GaN.

Qilin Wu, Shuqing Zhang, Xiaoyan Song, Xinping Zhang

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In one paragraph

Article in Materials (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed

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1 · What the graph read from it

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Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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2 · The registry

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3 · Its place in the literature

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0 citing papers in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

4 authors.

Qilin WuInstitute of Information Photonics Technology, School of Physics and Optoelectronic Engineering, Beijing University of Technology, Beijing 100124, China.

Shuqing ZhangInstitute of Information Photonics Technology, School of Physics and Optoelectronic Engineering, Beijing University of Technology, Beijing 100124, China.

Xiaoyan SongCollege of Materials Science and Engineering, Key Laboratory of Advanced Functional Materials, Ministry of Education of China, Beijing University of Technology, Beijing 100124, China.ORCID 0000-0003-3844-729X

Xinping ZhangInstitute of Information Photonics Technology, School of Physics and Optoelectronic Engineering, Beijing University of Technology, Beijing 100124, China.ORCID 0000-0001-6534-0004

Funding

National Natural Science Foundation of China 12104025

6 · The paper itself

Abstract

The recent discovery of two-dimensional Mg (2D-Mg) intercalation in GaN has attracted increasing attention, prompting fundamental questions regarding its structural stability and electronic properties. In this work, we employ first-principles calculations to investigate the structural and electronic effects of 2D-Mg intercalation in GaN. We identify the most energetically favorable intercalation ratio of Mg, reveal the critical role of Ga vacancies in restoring semiconducting behavior, and demonstrate that compressive strain further modulates the electronic structure. In particular, the configuration with 75% Mg intercalation and nearest-neighbor Ga vacancy under compressive strain exhibits significant band gap narrowing and enhanced Mg-related acceptor activity. These findings challenge long-standing assumptions about Mg clustering and establish a mechanistic framework based on intercalation, vacancy engineering, and strain control for the design of next-generation p-type GaN devices.

Indexed as

2D-Mg intercalationgallium nitrideGa vacanciesstrain control

Identifiers

PMID41156986

DOI10.3390/ma18204755

PMCPMC12565984

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LicenceCC BY

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.