The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
Ab initio calculation of the macroscopic dielectric constant in silicon
Abstract
We perform a first-principles calculation of the static dielectric constant of Si in the framework of density-functional theory. The only essential approximation used in this work is the local-density approximation (LDA): norm-conserving pseudopotentials and large plane-wave basis sets are used, numerical roundoff and convergence errors are kept below 1%. The present calculation gives for the first time the ``exact'' value of the macroscopic dielectric constant at the LDA level. The theoretical value of ${\ensuremath{\epsilon}}_{\ensuremath{\infty}}$ is 12% higher than experiment.
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Citations
Cites
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Self-citation
Cited by
Phonons and related crystal properties from density-functional perturbation theory
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Self-citationAdvanced capabilities for materials modelling with Q uantum ESPRESSO
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Self-citationMacroscopic polarization in crystalline dielectrics: the geometric phase approach
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Self-citationAb initio calculation of phonon dispersions in semiconductors
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Self-citationFully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
Freysoldt, C., Neugebauer, J., & Van de Walle, C. G. (2009) · Physical Review Letters · doi:10.1103/physrevlett.102.016402 · Cited by 1,608
Metadata
- Authors
- Baroni, S., & Resta, R.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1986-05-15
- Volume
- 33
- Issue
- 10
- Pages
- 7017-7021
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W1973029646
- Cited by
- 586
- References
- 15
- FWCI
- 2.58
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.