Evaluation of energy band offset of Si1−xSnx semiconductors by numerical calculation using density functional theory
We examined the numerical calculation for evaluating the energy band offset of Si1−xSnx semiconductors and compared our calculation results with the results of previous theoretical calculation and experimental estimation. By estimating the charge neutrality level of Si1−xSnx as a mutual basis level...
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Veröffentlicht in: | Japanese Journal of Applied Physics 2017-04, Vol.56 (4S) |
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Hauptverfasser: | , , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | We examined the numerical calculation for evaluating the energy band offset of Si1−xSnx semiconductors and compared our calculation results with the results of previous theoretical calculation and experimental estimation. By estimating the charge neutrality level of Si1−xSnx as a mutual basis level for comparison of the first-principles calculations for different Si1−xSnx contents, the calculated valence band offset of Si1−xSnx to Si was found to sensitively shift with upward bowing with increasing Sn content compared with that obtained using a conventional linear interpolation model. This is in good agreements with the experimental result. |
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ISSN: | 0021-4922 1347-4065 |
DOI: | 10.7567/JJAP.56.04CR10 |