The Role of a Ta2O5 Seed Layer on Phase Evolution and Epitaxial Growth of Ta3N5 Thin Films on Al2O3(0001)
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| Název: | The Role of a Ta2O5 Seed Layer on Phase Evolution and Epitaxial Growth of Ta3N5 Thin Films on Al2O3(0001) |
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| Autoři: | Chang, Jui-Che, Palisaitis, Justinas, Kalal, Shailesh, Gueorguiev, Gueorgui Kostov, Persson, Axel, Tseng, Eric Nestor, Greczynski, Grzegorz, Persson, Per O A, Sun, Jianwu, Hsu, Yu-Kuei, Hultman, Lars, Birch, Jens, Hsiao, Ching-Lien |
| Zdroj: | ACS Applied Energy Materials. 8(10):6699-6706 |
| Témata: | Ta3N5, Ta2O5, magnetron sputtering, epitaxial growth, STEM, phase transformation, DFT, SGC |
| Popis: | The present work investigates the growth, microstructure, and phase evolution of reactively sputtered Ta-N thin films deposited on Al2O3(0001) substrates with and without a Ta2O5 seed layer using complementary experimental techniques and theoretical calculations. X-ray diffraction (XRD) patterns reveal that without a seed layer, the films predominantly consist of the (111)-oriented cubic delta-TaN phase. In contrast, Ta2O5 seed layers promote the formation of an orthorhombic Ta3N5 phase with preferred orientation along the c-axis. Scanning transmission electron microscopy (STEM) results show the presence of large epitaxial Ta3N5 domains. Thickness-dependent XRD patterns and STEM images, together with fast Fourier transform studies, reveal that the transformations from beta-Ta2O5 to a Ta-N mixed phase and finally to Ta3N5 take place during film growth. This observed phase transformation depicts that the seed layer serves not only as a structural template for the epitaxial growth of Ta3N5 but also as an active participant in the nitridation process during growth. Energy calculations suggest that the Ta-N species play a crucial role in stabilizing Ta3N5 growth. This work elucidates the complex interplay among seed layers, deposition conditions, and precursor energetics, offering a comprehensive understanding of Ta3N5 thin film epitaxial growth mechanisms. |
| Popis souboru: | electronic |
| Přístupová URL adresa: | https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-213889 https://doi.org/10.1021/acsaem.5c00804 |
| Databáze: | SwePub |
Nájsť tento článok vo Web of Science | Abstrakt: | The present work investigates the growth, microstructure, and phase evolution of reactively sputtered Ta-N thin films deposited on Al2O3(0001) substrates with and without a Ta2O5 seed layer using complementary experimental techniques and theoretical calculations. X-ray diffraction (XRD) patterns reveal that without a seed layer, the films predominantly consist of the (111)-oriented cubic delta-TaN phase. In contrast, Ta2O5 seed layers promote the formation of an orthorhombic Ta3N5 phase with preferred orientation along the c-axis. Scanning transmission electron microscopy (STEM) results show the presence of large epitaxial Ta3N5 domains. Thickness-dependent XRD patterns and STEM images, together with fast Fourier transform studies, reveal that the transformations from beta-Ta2O5 to a Ta-N mixed phase and finally to Ta3N5 take place during film growth. This observed phase transformation depicts that the seed layer serves not only as a structural template for the epitaxial growth of Ta3N5 but also as an active participant in the nitridation process during growth. Energy calculations suggest that the Ta-N species play a crucial role in stabilizing Ta3N5 growth. This work elucidates the complex interplay among seed layers, deposition conditions, and precursor energetics, offering a comprehensive understanding of Ta3N5 thin film epitaxial growth mechanisms. |
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| ISSN: | 25740962 |
| DOI: | 10.1021/acsaem.5c00804 |