Band lineup between silicon and transparent conducting oxides

B. Höffling; A. Schleife; F. Fuchs; C. Rödl; F. Bechstedt

doi:10.1063/1.3464562

Band lineup between silicon and transparent conducting oxides

B. Höffling, A. Schleife, F. Fuchs, C. Rödl, F. Bechstedt

Research output: Contribution to journal › Article › peer-review

Abstract

Modern quasiparticle calculations based on hybrid functionals are used to predict natural band discontinuities between silicon and In₂O ₃, ZnO, and SnO₂ by two alignment methods, a modified Tersoff method for the branch-point energy and the Shockley-Anderson model via the electron affinity rule. The results of both methods are found to be in good agreement. A tendency for misaligned type-II heterostructures is predicted, indicating efficient electron-hole separation at the Si-oxide interfaces.

Original language	English (US)
Article number	032116
Journal	Applied Physics Letters
Volume	97
Issue number	3
DOIs	https://doi.org/10.1063/1.3464562
State	Published - Jul 19 2010
Externally published	Yes

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Physics and Astronomy (miscellaneous)

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10.1063/1.3464562

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title = "Band lineup between silicon and transparent conducting oxides",

abstract = "Modern quasiparticle calculations based on hybrid functionals are used to predict natural band discontinuities between silicon and In2O 3, ZnO, and SnO2 by two alignment methods, a modified Tersoff method for the branch-point energy and the Shockley-Anderson model via the electron affinity rule. The results of both methods are found to be in good agreement. A tendency for misaligned type-II heterostructures is predicted, indicating efficient electron-hole separation at the Si-oxide interfaces.",

author = "B. H{\"o}ffling and A. Schleife and F. Fuchs and C. R{\"o}dl and F. Bechstedt",

note = "Funding Information: The authors are grateful to T. D. Veal and P. D. C. King for valuable discussions. We acknowledge financial support from the German Federal Government (BMBF Project No. 13N9669), the Carl-Zeiss-Stiftung, the Deutsche Forschungsgemeinschaft (Project No. Be1346/20-1), and the European Community in the framework of ETSF (Grant No. 211956). Further, we thank the LRZ Munich and HLR Stuttgart for CPU time.",

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doi = "10.1063/1.3464562",

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AU - Höffling, B.

AU - Schleife, A.

AU - Fuchs, F.

AU - Rödl, C.

AU - Bechstedt, F.

N1 - Funding Information: The authors are grateful to T. D. Veal and P. D. C. King for valuable discussions. We acknowledge financial support from the German Federal Government (BMBF Project No. 13N9669), the Carl-Zeiss-Stiftung, the Deutsche Forschungsgemeinschaft (Project No. Be1346/20-1), and the European Community in the framework of ETSF (Grant No. 211956). Further, we thank the LRZ Munich and HLR Stuttgart for CPU time.

PY - 2010/7/19

Y1 - 2010/7/19

N2 - Modern quasiparticle calculations based on hybrid functionals are used to predict natural band discontinuities between silicon and In2O 3, ZnO, and SnO2 by two alignment methods, a modified Tersoff method for the branch-point energy and the Shockley-Anderson model via the electron affinity rule. The results of both methods are found to be in good agreement. A tendency for misaligned type-II heterostructures is predicted, indicating efficient electron-hole separation at the Si-oxide interfaces.

AB - Modern quasiparticle calculations based on hybrid functionals are used to predict natural band discontinuities between silicon and In2O 3, ZnO, and SnO2 by two alignment methods, a modified Tersoff method for the branch-point energy and the Shockley-Anderson model via the electron affinity rule. The results of both methods are found to be in good agreement. A tendency for misaligned type-II heterostructures is predicted, indicating efficient electron-hole separation at the Si-oxide interfaces.

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Band lineup between silicon and transparent conducting oxides

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