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Self-regulated charge transfer and band tilt in nm-scale polar GaN films

Published online by Cambridge University Press:  28 October 2006

M.-H. Tsai  and
S. K. Dey
M.-H. Tsai*
Affiliation:
Department of Physics, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan
S. K. Dey
Affiliation:
Department of Chemical and Materials Engineering, and Electrical Engineering, Ira A. Fulton College of Engineering, Arizona State University, Tempe, AZ 85287-6006, USA
*
tsai@mail.phys.nsysu.edu.tw
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Abstract

Using first-principles calculation for the electronic structures of nm-scale [0001] GaN freestanding films, it is found that the Ga-terminated surface (SGa) has a positive electrostatic potential, while the N-terminated surface has a negative electrostatic potential (SN), so that the energy bands tilt upwards from SGa to SN. Additionally, it is determined that an intrinsic self-regulated charge transfer across the film limits the electrostatic potential difference across the film, which renders the local conduction band energy minimum at SGa approximately equal to the local valence band energy maximum at SN. This effect is found to occur in films thicker than ~4 nm. If the dangling-bond/surface states at both SGa and SN are passivated by pseudo-hydrogen atoms, the tilt of energy bands is similar, though the cross-film potential is reduced due to the extra H5/4-Ga and N-H3/4 dipole layers.

Keywords

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 36 , Issue 2 , November 2006 , pp. 125 - 130
Copyright
© EDP Sciences, 2006

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