Local Structure of Zn Dopant in β-Phase Ga_2O_3

Yoshioka, Satoru, Yasuda, Kazuhiro, Ching-Lien, Hsiao, Chih-Wei, Hsu, Weine, Olovsson, Jens, Birch, Carl, Hemmingsson, Galia, Pozina

Ga_2O_3 is a promising ultrawide-bandgap semiconductor for high-voltage and high-power applications, yet achieving reliable p-type electrical conductivity remains a significant challenge. We utilized halide vapor phase epitaxy growth to synthesize epitaxial layers of β-phase Ga_2O_3 doped with Zn, which can serve as a suitable acceptor. Thin-film samples with Zn doping concentrations of 1.7 × 10^19 and 2.5 × 10^20 ions/cm^3 were confirmed as single phases of monoclinic β-Ga_2O_3 by X-ray diffraction. To determine the location of Zn ions within the β-Ga_2O_3 lattice, we employed X-ray absorption near-edge structure (XANES) in conjunction with first-principles density functional theory calculations. Theoretical XANES spectra for Zn substitutions in the tetrahedral and octahedral Ga sites in β-Ga_2O_3, as well as a precipitation of ZnGa_2O_4 spinel, were compared with the experimental data. The experimental XANES spectra of the Zn L_3 edge were reproduced well by theoretical spectra of Zn ions occupied at cationic positions at the tetrahedral coordinated site.

Local Structure of Zn Dopant in β-Phase Ga_2O_3

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