The DOI matches its Crossref record; 14 of the 14 references it cites were found in a registry or an index.
Total energies and bonding for crystallographic structures in titanium-carbon and tungsten-carbon systems
Abstract
A full-potential linearized muffin-tin orbital calculation is presented of titanium-carbon systems in a variety of crystallographic forms. The calculated electronic structure, total energies, and equilibrium lattice constants are determined for the ground-state NaCl structure of TiC and for prototype superlattice structures, and these results are discussed in terms of the nature of bonding found in TiC. Similar calculations are also given for WC in two of these crystalline forms, and the differing ground-state structure and equilibrium lattice constants in these two carbide materials are related to the behavior of those metallic d states which are occupied in WC and unoccupied in TiC. The behavior of these one-electron states, which stabilize WC in a simple hexagonal form, is similar to the calculated behavior of associated states in the prototype superlattice Ti-C structures, and these states are found to play a similar role in determining the structural characteristics in these systems. Some of the properties and probable stability of the various crystalline forms are also discussed in terms of our results.
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(Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2 )C high‐entropy ceramics with low thermal conductivity
Yan, X., Constantin, L., Lu, Y., Silvain, J., Nastasi, M., & Cui, B. (2018) · Journal of the American Ceramic Society · doi:10.1111/jace.15779 · Cited by 614
Theory of bonding in transition-metal carbides and nitrides
Häglund, J., Fernández Guillermet, A., Grimvall, G., & Körling, M. (1993) · Physical Review B · doi:10.1103/physrevb.48.11685 · Cited by 512
Electronic and structural properties of transition-metal carbide and nitride surfaces
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Electronic structure and optical properties ofWO3,LiWO3,NaWO3, andHWO3
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Metadata
- Authors
- Price, D. L., & Cooper, B. R.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1989-03-15
- Volume
- 39
- Issue
- 8
- Pages
- 4945-4957
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2008013841
- Cited by
- 366
- References
- 14
- FWCI
- 22.60
- Type
- journal article
- Language
- en
- Open access
- closed
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- Price, D. L., & Cooper, B. R. (1989). Total energies and bonding for crystallographic structures in titanium-carbon and tungsten-carbon systems. Physical Review B. https://doi.org/10.1103/physrevb.39.4945
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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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