Direct identification of -H defects in -GaN under electrical bias and elevated temperature
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 -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 complex in -GaN by combining polarization- and angle-resolved Fourier-transform infrared spectroscopy with first-principles phonon calculations. We observe a localized vibrational mode at 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 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 formation. These findings resolve a long-standing question regarding residual H in -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.