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Title: Triple-Period Partial Misfit Dislocations at the InN/GaN (0001) Interface: A New Dislocation Core Structure for III-N Materials

Abstract

The lattice-misfitInN/GaN (0001) interface supports a triangular network of a-core 90{sup o} partialmisfitdislocations. These misfitdislocations 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-III neighboring atoms, and satisfies the 'electron counting rule' by transferring charge from In dangling bonds to Ga dangling bonds.

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy Solar Energy Technologies Program; USDOE Office of Science, Basic Energy Sciences, Energy Frontier Research Center for Energy Efficient Materials
OSTI Identifier:
1050778
DOE Contract Number:  
AC36-08GO28308
Resource Type:
Journal Article
Journal Name:
Surface Science
Additional Journal Information:
Journal Volume: 606; Journal Issue: 21-22; Journal ID: ISSN 0039-6028
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMS; DIMERIZATION; DIMERS; DISLOCATIONS; INTERFACES; MATERIALS; STRAINS; STRUCTURAL MODELS; VACANCIES; Solar Energy - Thermal

Citation Formats

Zhang, L., McMahon, W. E., Liu, Y., Cai, Y., Xie, M. H., Wang, N., and Zhang, S. B. Triple-Period Partial Misfit Dislocations at the InN/GaN (0001) Interface: A New Dislocation Core Structure for III-N Materials. United States: N. p., 2012. Web. doi:10.1016/j.susc.2012.07.018.
Zhang, L., McMahon, W. E., Liu, Y., Cai, Y., Xie, M. H., Wang, N., & Zhang, S. B. Triple-Period Partial Misfit Dislocations at the InN/GaN (0001) Interface: A New Dislocation Core Structure for III-N Materials. United States. doi:10.1016/j.susc.2012.07.018.
Zhang, L., McMahon, W. E., Liu, Y., Cai, Y., Xie, M. H., Wang, N., and Zhang, S. B. Thu . "Triple-Period Partial Misfit Dislocations at the InN/GaN (0001) Interface: A New Dislocation Core Structure for III-N Materials". United States. doi:10.1016/j.susc.2012.07.018.
@article{osti_1050778,
title = {Triple-Period Partial Misfit Dislocations at the InN/GaN (0001) Interface: A New Dislocation Core Structure for III-N Materials},
author = {Zhang, L. and McMahon, W. E. and Liu, Y. and Cai, Y. and Xie, M. H. and Wang, N. and Zhang, S. B.},
abstractNote = {The lattice-misfitInN/GaN (0001) interface supports a triangular network of a-core 90{sup o} partialmisfitdislocations. These misfitdislocations 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-III neighboring atoms, and satisfies the 'electron counting rule' by transferring charge from In dangling bonds to Ga dangling bonds.},
doi = {10.1016/j.susc.2012.07.018},
journal = {Surface Science},
issn = {0039-6028},
number = 21-22,
volume = 606,
place = {United States},
year = {2012},
month = {11}
}