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    Direct identification of VN-H defects in p-GaN under electrical bias and elevated temperature

    Xuan Liu1,*, E Zhou2,*, Xue-Lin Yang1,3,†, Tai-Qiao Liu2, Ying-Ming Song1, Han Yang1, Ke-Xin Zhang1, Zhao-Hua Shen1, Zheng-Hao Chen1 et al.

    Hong-Cai Yang1, Ze-Ming Qi4, Guang-Xu Ju1, Zhi-Jian Yang1, Fu-Jun Xu1,3, Ning Tang1,3, Xin-Qiang Wang1,3, Zhao-Fu Zhang2,‡, and Bo Shen1,3,§

    • 1State Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, Beijing Key Laboratory of Nitride Wide Bandgap Semiconductor Materials and Devices, School of Physics, Peking University, Beijing 100871, People's Republic of China
    • 2School of Integrated Circuits, Wuhan University, Wuhan 430072, Hubei, People's Republic of China
    • 3Peking University Yangtze Delta Institute of Optoelectronics, Nantong 226010, Jiangsu, People's Republic of China
    • 4National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, Anhui, People's Republic of China

    • *These authors contributed equally to this work.
    • †Contact author: xlyang@pku.edu.cn
    • ‡Contact author: zhaofuzhang@whu.edu.cn
    • §Contact author: bshen@pku.edu.cn

    Phys. Rev. B 114, 065305 – Published 15 July, 2026

    DOI: https://doi.org/10.1103/ypcd-b5vq

    Abstract

    Hydrogen (H) is a ubiquitous and electrically active impurity in semiconductors, playing a decisive role in shaping their optical and electrical properties, particularly in wide band-gap materials such as gallium nitride (GaN). Although postgrowth activation dissociates Mg-N-H complexes, a substantial concentration of residual H remains in p-GaN, and its dominant atomic configurations and dynamic behavior under device-relevant operating conditions remain poorly understood. Here, we directly identify the nitrogen-vacancy-hydrogen (VN-H) complex in p-GaN by combining polarization- and angle-resolved Fourier-transform infrared spectroscopy with first-principles phonon calculations. We observe a localized vibrational mode at 1727cm−1 that emerges under forward electrical bias and elevated temperature. The mode exhibits a nearly isotropic in-plane polarization response along with a pronounced out-of-plane component. The key experimental vibrational characteristics, including peak position, polarization dependence, and angle variation, are in good agreement with the first-principles calculations, providing a consistent vibrational fingerprint that supports the assignment of the mode to a VN-H configuration. Building on this identification, we further propose a physically grounded kinetic picture in which electron injection under forward bias enables H released from the GaN lattice to participate in VN-H formation. These findings resolve a long-standing question regarding residual H in p-GaN and offer critical insight into both H-related defect physics and device degradation mechanisms, with broad implications for the reliability of GaN-based electronic and optoelectronic devices.

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