The DOI matches its Crossref record; 33 of the 33 references it cites were found in a registry or an index.
Stresses in semiconductors:Ab initio calculations on Si, Ge, and GaAs
Abstract
Explicit formulas for the calculation of stress are presented based on the stress theorem and the local-density-functional approximation. Norm-conserving pseudopotentials are applied in a plane-wave basis for calculations on the semiconductors Si, Ge, and GaAs. Besides the lattice constants and bulk moduli, complete sets of elastic constants are given, together with the optical \ensuremath{\Gamma} phonon frequencies and internal-strain parameter \ensuremath{\zeta}. Electronic charge density structure factors, deformation potentials, and strain-induced splittings of phonons are given, as well as the nonlinear third-order elastic constants. Good agreement with experiment is found throughout, except for persistent deviations from the x-ray diffraction values for \ensuremath{\zeta}.
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Cited by
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Metadata
- Authors
- Nielsen, O. H., & Martin, R. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1985-09-15
- Volume
- 32
- Issue
- 6
- Pages
- 3792-3805
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2038201676
- Cited by
- 678
- References
- 33
- FWCI
- 11.44
- Type
- journal article
- Language
- en
- Open access
- closed
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