Kuwabara, Akihide ; Gao, Xiang ; Riedel, Ralf ; Ionescu, Emanuel ; Ikuhara, Yuichi (2023)
Defect structures and dopant solution states of Hf‐doped Si 3 N 4 ceramics.
In: International Journal of Applied Ceramic Technology, 20 (1)
doi: 10.1111/ijac.14236
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Transition-metal-doped silicon nitride ceramics have attracted much attention as gate materials for semiconductors because of their electrical properties as well as chemical and thermal stability. The present study aims to clarify the defect structures of Hf-doped beta-Si3N4 by theoretical calculations and scanning transmission electron microscopy (STEM). First-principles calculations based on a hybrid functional method were performed. It was found that Hf dopants are mainly substituted for the Si sites and can be occasionally located at interstitial sites in the lattice of beta-Si3N4. The substitution sites of Hf dopants predicted by the first-principles calculations were also confirmed by the high-resolution STEM images.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2023 |
| Autor(en): | Kuwabara, Akihide ; Gao, Xiang ; Riedel, Ralf ; Ionescu, Emanuel ; Ikuhara, Yuichi |
| Art des Eintrags: | Bibliographie |
| Titel: | Defect structures and dopant solution states of Hf‐doped Si 3 N 4 ceramics |
| Sprache: | Englisch |
| Publikationsjahr: | Januar 2023 |
| Verlag: | Wiley |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | International Journal of Applied Ceramic Technology |
| Jahrgang/Volume einer Zeitschrift: | 20 |
| (Heft-)Nummer: | 1 |
| DOI: | 10.1111/ijac.14236 |
| Kurzbeschreibung (Abstract): | Transition-metal-doped silicon nitride ceramics have attracted much attention as gate materials for semiconductors because of their electrical properties as well as chemical and thermal stability. The present study aims to clarify the defect structures of Hf-doped beta-Si3N4 by theoretical calculations and scanning transmission electron microscopy (STEM). First-principles calculations based on a hybrid functional method were performed. It was found that Hf dopants are mainly substituted for the Si sites and can be occasionally located at interstitial sites in the lattice of beta-Si3N4. The substitution sites of Hf dopants predicted by the first-principles calculations were also confirmed by the high-resolution STEM images. |
| Freie Schlagworte: | defects, dopants, doping, silicon nitride, simulation, total-energy calculations, AB-initio, silicon-nitride, x-ray |
| Zusätzliche Informationen: | First published online: 01 October 2022 |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Disperse Feststoffe |
| Hinterlegungsdatum: | 12 Dez 2022 06:47 |
| Letzte Änderung: | 12 Dez 2022 10:37 |
| PPN: | 502503661 |
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| Suche nach Titel in: | TUfind oder in Google |
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