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Microscopic origins of surface states on nitride surfaces
Open accessAbstract
We report a systematic and comprehensive computational study of the electronic structure of GaN and InN surfaces in various orientations, including the polar c plane, as well as the nonpolar a and m planes. Surface band structures and density-of-states plots show the energetic position of surface states, and by correlating the electronic structure with atomistic information we are able to identify the microscopic origins of each of these states. Fermi-level pinning positions are identified, depending on surface stoichiometry and surface polarity. For polar InN we find that all the surface states are located above the conduction-band minimum, and explain the source of the intrinsic electron accumulation that has been universally observed on InN surfaces.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Cited by
Computationally predicted energies and properties of defects in GaN
Lyons, J. L., & Van de Walle, C. G. (2017) · npj Computational Materials · doi:10.1038/s41524-017-0014-2 · Cited by 312
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Metadata
- Authors
- Van de Walle, C. G., & Segev, D.
- Venue
- Journal of Applied Physics
- Publisher
- AIP Publishing
- Published
- 2007-04-15
- Volume
- 101
- Issue
- 8
- ISSN
- 0021-8979 (ISSN-L)
- 1089-7550
- OpenAlex
- W2019123417
- Cited by
- 293
- References
- 2
- FWCI
- 17.20
- Type
- journal article
- Language
- en
- Open access
- green
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- Van de Walle, C. G., & Segev, D. (2007). Microscopic origins of surface states on nitride surfaces. Journal of Applied Physics. https://doi.org/10.1063/1.2722731
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