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Band Offsets in Lattice-Matched Heterojunctions: A Model and First-Principles Calculations for GaAs/AlAs
Abstract
A new model for band offsets in lattice-matched heterojunctions is presented along with a novel definition of the interface dipole which avoids any reference to an ideal interface. The model is derived only from the charge densities of the bulk constituents and naturally predicts the independence of the offsets on interface geometry. It is in excellent agreement with accurate first-principles pseudopotential calculations for ${(\mathrm{GaAs})}_{3}$/${(\mathrm{AlAs})}_{3}$ grown in the (001), (110), and (111) directions and with available experimental data.
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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
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Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Self-citationOrigin of the dielectric dead layer in nanoscale capacitors
Stengel, M., & Spaldin, N. A. (2006) · Nature · doi:10.1038/nature05148 · Cited by 586
Macroscopic polarization and band offsets at nitride heterojunctions
Bernardini, F., & Fiorentini, V. (1998) · Physical Review B · doi:10.1103/physrevb.57.r9427 · Cited by 419
Metadata
- Authors
- Baldereschi, A., Baroni, S., & Resta, R.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1988-08-08
- Volume
- 61
- Issue
- 6
- Pages
- 734-737
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2004335187
- Cited by
- 555
- References
- 2
- FWCI
- 8.30
- Type
- journal article
- Language
- en
- Open access
- closed
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- Baldereschi, A., Baroni, S., & Resta, R. (1988). Band Offsets in Lattice-Matched Heterojunctions: A Model and First-Principles Calculations for GaAs/AlAs. Physical Review Letters. https://doi.org/10.1103/physrevlett.61.734
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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