The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
GaAs equilibrium crystal shape from first principles
Open accessAbstract
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The equilibrium crystal shape has been derived from the surface energies for the (110), (100), (111), and (1\ifmmode\bar\else\textasciimacron\fi{} 1\ifmmode\bar\else\textasciimacron\fi{} 1\ifmmode\bar\else\textasciimacron\fi{}) orientations. Under As-rich conditions all four considered surface orientations exist in thermodynamic equilibrium, in agreement with experimental observations. Moreover, our calculations allow us to decide on previous contradictory theoretical values for the surface energies of the (111) and (1\ifmmode\bar\else\textasciimacron\fi{} 1\ifmmode\bar\else\textasciimacron\fi{} 1\ifmmode\bar\else\textasciimacron\fi{}) facets. \textcopyright{} 1996 The American Physical Society.
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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-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
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
Analysis of separable potentials
Gonze, X., Stumpf, R., & Scheffler, M. (1991) · Physical Review B · doi:10.1103/physrevb.44.8503 · Cited by 605
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Cited by
Steps on surfaces: experiment and theory
Jeong, H.-C., & Williams, E. D. (1999) · Surface Science Reports · doi:10.1016/s0167-5729(98)00010-7 · Cited by 722
Phase Perfection in Zinc Blende and Wurtzite III−V Nanowires Using Basic Growth Parameters
Joyce, H. J., Wong-Leung, J., Gao, Q., Tan, H. H., & Jagadish, C. (2010) · Nano Letters · doi:10.1021/nl903688v · Cited by 484
Efficient creation and convergence of surface slabs
Sun, W., & Ceder, G. (2013) · Surface Science · doi:10.1016/j.susc.2013.05.016 · Cited by 269
Metadata
- Authors
- Moll, N., Kley, A., Pehlke, E., & Scheffler, M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1996-09-15
- Volume
- 54
- Issue
- 12
- Pages
- 8844-8855
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2084107785
- Cited by
- 416
- References
- 4
- FWCI
- 12.16
- Type
- journal article
- Language
- en
- Open access
- green
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- Moll, N., Kley, A., Pehlke, E., & Scheffler, M. (1996). GaAs equilibrium crystal shape from first principles. Physical Review B. https://doi.org/10.1103/physrevb.54.8844
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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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