Point defects on the (110) surfaces of InP, InAs and InSb: a comparison with bulk

Höglund, A., Castleton, C.W.M. ORCID: 0000-0001-6790-6569, Göthelid, M., Johansson, B. and Mirbt, S., 2006. Point defects on the (110) surfaces of InP, InAs and InSb: a comparison with bulk. Physical Review B, 74 (7), 075332. ISSN 1098-0121

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The basic properties of point defects, such as local geometries, positions of charge-transfer levels, and formation energies, have been calculated using density-functional theory, both in the bulk and on the 110 surface of InP, InAs, and InSb. Based on these results we discuss the electronic properties of bulk and surface defects, defect segregation, and compensation. In comparing the relative stability of the surface and bulk defects, it is found that the native defects generally have higher formation energies in the bulk. From this it can be concluded that at equilibrium there is a considerably larger fraction of defects at the surface and under nonequilibrium conditions defects are expected to segregate to the surface, given sufficient time. In most cases the charge state of a defect changes upon segregation, altering the charge-carrier concentrations. The photo-thresholds are also calculated for the three semiconductors and are found to be in good agreement with experimental data.

Item Type: Journal article
Publication Title: Physical Review B
Creators: Höglund, A., Castleton, C.W.M., Göthelid, M., Johansson, B. and Mirbt, S.
Date: 29 August 2006
Volume: 74
Number: 7
ISSN: 1098-0121
Divisions: Schools > School of Science and Technology
Record created by: EPrints Services
Date Added: 09 Oct 2015 09:56
Last Modified: 10 Oct 2017 15:40
URI: https://irep.ntu.ac.uk/id/eprint/5244

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