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| Autores principales: | , , , , , , , , , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2026
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| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2605.09578 |
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| author | Demchenko, I. N. Syryanyy, Y. Shokri, A. Melikhov, Y. Chernyshova, M. Turek, M. Droździel, A. Munnik, F. Jakieła, R. Minikayev, R. Domagala, J. Z. Derkachova, A. Zając, M. Krajczewski, J. Grzanka, E. Galazka, Z. |
| author_facet | Demchenko, I. N. Syryanyy, Y. Shokri, A. Melikhov, Y. Chernyshova, M. Turek, M. Droździel, A. Munnik, F. Jakieła, R. Minikayev, R. Domagala, J. Z. Derkachova, A. Zając, M. Krajczewski, J. Grzanka, E. Galazka, Z. |
| contents | The realization of $p$-type doping in wide-band-gap oxide semiconductors remains a major challenge, particularly in $β-Ga_2O_3$ where nitrogen has long been considered a potential acceptor dopant but has consistently failed to produce hole conductivity. Here we investigate the microscopic configuration of implanted nitrogen in (100) $β-Ga_2O_3$ using temperature-dependent $N$ $K$-edge x-ray absorption spectroscopy. The spectra reveal a pronounced $π^*$ resonance characteristic of molecular nitrogen, which becomes increasingly dominant upon thermal annealing. First-principles calculations and multiple-scattering simulations reveal a pronounced tendency for nitrogen atoms to form $N-N$ bonded configurations in the $Ga_2O_3$ matrix, particularly in defect-rich environments created by ion implantation, reproducing the characteristic spectral features observed in the $N$ $K$-edge XANES spectra. Structural analysis further indicates that implantation induces a defect-rich near-surface layer with local $β$-to-$γ$-like structural motifs, highlighting the strongly nonequilibrium structural environment in which nitrogen incorporation occurs. Reported results show that implanted nitrogen preferentially forms molecular $N_2$-like configurations rather than substitutional acceptors. Our results provide a microscopic explanation for the long-standing failure of nitrogen acceptor doping in $β-Ga_2O_3$ and reveal dopant molecularization as a previously overlooked pathway for impurity incorporation under strongly nonequilibrium implantation conditions. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_09578 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Molecular Nitrogen Formation in Nitrogen-Implanted (100) $β-Ga_2O_3$ Revealed by Temperature-Dependent $N$ $K$-edge XANES Demchenko, I. N. Syryanyy, Y. Shokri, A. Melikhov, Y. Chernyshova, M. Turek, M. Droździel, A. Munnik, F. Jakieła, R. Minikayev, R. Domagala, J. Z. Derkachova, A. Zając, M. Krajczewski, J. Grzanka, E. Galazka, Z. Materials Science The realization of $p$-type doping in wide-band-gap oxide semiconductors remains a major challenge, particularly in $β-Ga_2O_3$ where nitrogen has long been considered a potential acceptor dopant but has consistently failed to produce hole conductivity. Here we investigate the microscopic configuration of implanted nitrogen in (100) $β-Ga_2O_3$ using temperature-dependent $N$ $K$-edge x-ray absorption spectroscopy. The spectra reveal a pronounced $π^*$ resonance characteristic of molecular nitrogen, which becomes increasingly dominant upon thermal annealing. First-principles calculations and multiple-scattering simulations reveal a pronounced tendency for nitrogen atoms to form $N-N$ bonded configurations in the $Ga_2O_3$ matrix, particularly in defect-rich environments created by ion implantation, reproducing the characteristic spectral features observed in the $N$ $K$-edge XANES spectra. Structural analysis further indicates that implantation induces a defect-rich near-surface layer with local $β$-to-$γ$-like structural motifs, highlighting the strongly nonequilibrium structural environment in which nitrogen incorporation occurs. Reported results show that implanted nitrogen preferentially forms molecular $N_2$-like configurations rather than substitutional acceptors. Our results provide a microscopic explanation for the long-standing failure of nitrogen acceptor doping in $β-Ga_2O_3$ and reveal dopant molecularization as a previously overlooked pathway for impurity incorporation under strongly nonequilibrium implantation conditions. |
| title | Molecular Nitrogen Formation in Nitrogen-Implanted (100) $β-Ga_2O_3$ Revealed by Temperature-Dependent $N$ $K$-edge XANES |
| topic | Materials Science |
| url | https://arxiv.org/abs/2605.09578 |