Export citation

Export citation

Choose format for download:

Download Citation

    Defect band-edge engineering: Enhancement of carrier transport and thermoelectric performance in black arsenic by controlled defect aggregation

    Yu Li1,*, Xinya Mao1, Zhuoxuan Luo1, Peijie Liu1, Yiyao Jiang1, Chen Yang1, Zhaoying Yan1, Shuhao Zhu1, and Jiong Yang2,†

    • 1College of Materials Science and Engineering, Shenzhen Key Laboratory of Special Functional Materials, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Guangdong Research Center for Interfacial Engineering of Functional Materials, Shenzhen University, Shenzhen 518060, China
    • 2Materials Genome Institute, Shanghai Engineering Research Center for Integrated Circuits and Advanced Display Materials, Shanghai University, Shanghai 200444, China

    • *Contact author: liyu@szu.edu.cn
    • †Contact author: jiongy@t.shu.edu.cn

    Phys. Rev. B 113, 075403 – Published 2 February, 2026

    DOI: https://doi.org/10.1103/9rdk-m9nc

    Abstract

    Contrary to the conventional view that defects degrade electrical transport, we demonstrate through quantum transport calculations that engineering extended line defects in two-dimensional black arsenic (b-As) can anomalously enhance electron mobility, electrical conductance, thermoelectric power factor, and figure of merit (ZT). These defects simultaneously suppress lattice thermal conductivity while preserving excellent electrical transport, leading to an over threefold increase in ZT (up to 1.52) compared to pristine b-As. This enhancement originates from a resonant coupling between defect-induced bands and intrinsic valence bands—a mechanism absent in black phosphorus due to its out-of-plane pz orbital character. Our work establishes a general design principle for low-dimensional thermoelectrics: materials with in-plane orbital-dominated band edges are ideal platforms for line-defect engineering toward synergistic optimization of electrical and thermal transport properties.

    Physics Subject Headings (PhySH)

    Corrections

    18 March, 2026

    Correction: A grant number was missing in the Acknowledgment section and has been inserted.

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation