Stability, growth, and doping of In$_{2}$(Si, Ge)$_{2}$O$_{7}$ as promising n-type wide-gap semiconductors
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866915183179333632 |
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| author | Lee, Cheng-Wei Egbo, Kingsley Garrity, Emily Jankousky, Matthew Garland, Henry Zakutayev, Andriy Stevanović, Vladan |
| author_facet | Lee, Cheng-Wei Egbo, Kingsley Garrity, Emily Jankousky, Matthew Garland, Henry Zakutayev, Andriy Stevanović, Vladan |
| contents | In this paper we investigate, computationally and experimentally, the phase stability, electronic structure properties, and the propensity for n-type doping of In$_{2}$X$_{2}$O$_{7}$ (X=Si, Ge) ternary oxides. This family of materials contains promising novel wide-gap semiconductors based on their estimated high $n$-type Baliga figures of merit and acceptable thermal conductivity for power electronics applications. Here, we find that both In$_{2}$Si$_{2}$O$_{7}$ and In$_{2}$Ge$_{2}$O$_{7}$ to be n-type dopable, with Zr providing between 10$^{16}$ and above 10$^{21}$ cm$^{-3}$ net donor concentrations under O-poor conditions, depending on the chemistry, structure (ground-state thorvetite or high-pressure pyrochlore) and synthesis temperature. Initial thin-film growth and annealing leads to polycrystalline In$_{2}$Ge$_{2}$O$_{7}$ thin films in thorvetite structure with band gap over 4 eV, and confirms Zr doping predictions by achieving electron concentrations at 10$^{14}$-10$^{16}$ cm$^{-3}$ under O-rich condition. While future epitaxial growth development is still needed, this study establishes In$_{2}$X$_{2}$O$_{7}$ as promising n-type wide-gap semiconductors for power electronic applications. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2503_03619 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Stability, growth, and doping of In$_{2}$(Si, Ge)$_{2}$O$_{7}$ as promising n-type wide-gap semiconductors Lee, Cheng-Wei Egbo, Kingsley Garrity, Emily Jankousky, Matthew Garland, Henry Zakutayev, Andriy Stevanović, Vladan Materials Science In this paper we investigate, computationally and experimentally, the phase stability, electronic structure properties, and the propensity for n-type doping of In$_{2}$X$_{2}$O$_{7}$ (X=Si, Ge) ternary oxides. This family of materials contains promising novel wide-gap semiconductors based on their estimated high $n$-type Baliga figures of merit and acceptable thermal conductivity for power electronics applications. Here, we find that both In$_{2}$Si$_{2}$O$_{7}$ and In$_{2}$Ge$_{2}$O$_{7}$ to be n-type dopable, with Zr providing between 10$^{16}$ and above 10$^{21}$ cm$^{-3}$ net donor concentrations under O-poor conditions, depending on the chemistry, structure (ground-state thorvetite or high-pressure pyrochlore) and synthesis temperature. Initial thin-film growth and annealing leads to polycrystalline In$_{2}$Ge$_{2}$O$_{7}$ thin films in thorvetite structure with band gap over 4 eV, and confirms Zr doping predictions by achieving electron concentrations at 10$^{14}$-10$^{16}$ cm$^{-3}$ under O-rich condition. While future epitaxial growth development is still needed, this study establishes In$_{2}$X$_{2}$O$_{7}$ as promising n-type wide-gap semiconductors for power electronic applications. |
| title | Stability, growth, and doping of In$_{2}$(Si, Ge)$_{2}$O$_{7}$ as promising n-type wide-gap semiconductors |
| topic | Materials Science |
| url | https://arxiv.org/abs/2503.03619 |