期刊
SURFACE SCIENCE
卷 606, 期 21-22, 页码 1728-1738出版社
ELSEVIER
DOI: 10.1016/j.susc.2012.07.018
关键词
InN/GaN(111); Misfit dislocations; Reconstruction; Ab initio calculations; Scanning tunneling microscopy
资金
- U.S. Department of Energy [DE-AC36-08-G028308, DE-SC0002623]
- National Renewable Energy Laboratory
- Research Grant Council of Hong Kong Special Administrative Region, China [HKU7055/06P, 7048/08P]
- Center for Energy Efficient Materials, an Energy Frontier Research Center
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001009]
The lattice-misfit InN/GaN (0001) interface supports a triangular network of alpha-core 90 degrees partial misfit dislocations. These misfit dislocations provide excellent strain relief. However, in their unreconstructed form the dislocation contains numerous high-energy N dangling bonds, which must be eliminated by reconstructing the dislocation core. Existing single-period (SP) and double-period (DP) dislocation reconstruction models eliminate these dangling bonds via a like-atom dimerization, such as N-N dimers. However, we show that these N-N dimers are unstable for the III-N materials, so an entirely new reconstruction mechanism is needed. A triple-period (TP) structural model is developed which eliminates N dangling bonds via the formation of N vacancies instead of N-N dimers. The model contains no N-N (or III-III) bonds, fully bonds all N atoms to four group-Ill neighboring atoms, and satisfies the electron counting rule by transferring charge from In dangling bonds to Ga dangling bonds. (c) 2012 Elsevier B.V. All rights reserved.
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