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Atomic scale localization of Kohn?Sham wavefunction at SiO2/4H?SiC interface under electric field, deviating from envelope function by effective mass approximation
https://repo.qst.go.jp/records/2000995
https://repo.qst.go.jp/records/20009955e21460f-0e2c-47e5-a68a-8742b44b4ca9
| アイテムタイプ | 学術雑誌論文 / Journal Article(1) | |||||||||||
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| 公開日 | 2024-01-25 | |||||||||||
| タイトル | ||||||||||||
| タイトル | Atomic scale localization of Kohn?Sham wavefunction at SiO2/4H?SiC interface under electric field, deviating from envelope function by effective mass approximation | |||||||||||
| 言語 | en | |||||||||||
| 言語 | ||||||||||||
| 言語 | eng | |||||||||||
| 資源タイプ | ||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||
| 資源タイプ | journal article | |||||||||||
| 著者 |
Hironori Yoshioka
× Hironori Yoshioka
× Jun-Ichi Iwata
× Matsushita Yuichiro
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| 抄録 | ||||||||||||
| 内容記述タイプ | Abstract | |||||||||||
| 内容記述 | To clarify the cause of the low channel conductivity at the SiO2/4H?SiC interface, the wavefunction at the SiC conduction band minimum was calculated using density functional theory under an applied electric field. We found that the wavefunction for a 4H?SiC (0001) slab tends to be localized at the cubic site closest to the interface. Importantly, because the conduction electrons are distributed closer to the interface (<5?A) than expected from the effective mass approximation (EMA), they are more frequently scattered by interface defects. This is expected to be the reason why the channel conductivity for the (0001) face is particularly low compared with that for other faces, such as (11 0). The breakdown of the EMA for the (0001) interface is related to the long structural periodicity along the [0001] direction in 4H?SiC crystals. | |||||||||||
| 書誌情報 |
Applied Physics Letters 巻 122, 号 22, p. 222104-1-222104-6, 発行日 2023-05 |
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| DOI | ||||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | https://doi.org/10.1063/5.0151547 | |||||||||||
