First-Principles Study of Biaxial Strain Effects on Schottky Barrier Modulation in Graphene/ZnSe Heterostructures.

Guowang Pang, Xue Wen, Lili Zhang, Yineng Huang

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Article in Nanomaterials (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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5 · Who and what money

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4 authors.

Guowang PangCollege of Science, Xinjiang Institute of Technology, Aksu 843100, China.

Xue WenXinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matters, College of Physical Science and Technology, Yili Normal University, Yining 835000, China.

Lili ZhangXinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matters, College of Physical Science and Technology, Yili Normal University, Yining 835000, China.

Yineng HuangXinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matters, College of Physical Science and Technology, Yili Normal University, Yining 835000, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Reducing the Schottky barrier at the metal-semiconductor interface and achieving Ohmic contact is crucial for the development of high-performance Schottky field-effect transistors. This paper investigates the stability, interface interactions, interlayer charge transfer, and types of Schottky contacts in the graphene/ZnSe heterostructure structure using first-principles methods. It employs biaxial strain as a control mechanism. The results indicate that applying compressive strain increases the barrier and band gap while maintaining n-type contact; whereas tensile strain reduces the n-type barrier to negative values, inducing Ohmic contact and decreasing the band gap. The findings of this study will provide theoretical references for the design and fabrication of field-effect transistors, photodetectors, and other optoelectronic devices.

Indexed as

first principlesgraphene/ZnSeheterostructureSchottky barrier

Identifiers

PMID41369488

DOI10.3390/nano15231816

PMCPMC12693643

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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 OpenQuestion graph.