The DOI matches its Crossref record; 50 of the 50 references it cites were found in a registry or an index.
Theoretical Studies of the Electronic Properties of Ceramic Materials
Abstract
The first‐principles orthogonalized linear combination of atomic orbitals (OLCAO) method for electronic structure studies has been applied to a variety of complex inorganic crystals. The theory and the practice of the OLCAO method in the local density approximation are discussed in detail. Recent progress in the study of electronic and optical properties of a large list of ceramic systems are summarized. Eight selected topics on different ceramic crystals focusing on specific points of interest are presented as examples. The materials discussed are AIN, Cu 2 O, β‐Si 3 N 4 , Y 2 O 3 , LiB 3 O 5 , ferroelectric crystals, Fe‐B compounds, and the YBa 2 Cu 3 O 7 superconductor. The results include the band structure, density of states, charge density distribution, spin density distribution, effective charges, total energy and totalenergy‐derived results, optical absorption, positron annihilation spectra, and more. Extension of the band theoretical approach to the study of other areas of fundamental ceramic science is also discussed.
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Cites
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Superconductivity at 93 K in a new mixed-phase Y-Ba-Cu-O compound system at ambient pressure
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Long range interactions in nanoscale science
French, R. H., Parsegian, V. A., Podgornik, R., Rajter, R. F., Jagota, A., Luo, J., Asthagiri, D., Chaudhury, M. K., Chiang, Y.-M., Granick, S., et al. (2010) · Reviews of Modern Physics · doi:10.1103/revmodphys.82.1887 · Cited by 441
Self-citationDuan, C.-G., Gu, Z.-Q., Li, J., Wang, D.-S., & Ren, S.-F. (1998) · Physical Review B · doi:10.1103/physrevb.57.10 · Cited by 375
Poudel, L., Podgornik, R., & Ching, W.-Y. (2017) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.7b04061 · Cited by 41
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Metadata
- Authors
- Ching, W. Y.
- Venue
- Journal of the American Ceramic Society
- Publisher
- Wiley
- Published
- 1990-11
- Volume
- 73
- Issue
- 11
- Pages
- 3135-3160
- ISSN
- 0002-7820 (ISSN-L)
- 1551-2916
- OpenAlex
- W2128998939
- Cited by
- 264
- References
- 50
- FWCI
- 5.08
- Type
- journal article
- Language
- en
- Open access
- closed
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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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