The DOI matches its Crossref record; 7 of the 7 references it cites were found in a registry or an index.
Correlation betweend-Band Occupancy and Crystal Structure in the Rare Earths
Abstract
The rare-earth crystal structure sequence ${\mathrm{hcp}}^{\ensuremath{\rightarrow}}$ Sm-${\mathrm{type}}^{\ensuremath{\rightarrow}}$ double-${\mathrm{hcp}}^{\ensuremath{\rightarrow}}$ fcc observed for decreasing atomic number and increasing pressure is quantitatively correlated with the $d$-band occupancy through the $d$-band energy contribution to the total energy. Self-consistent calculations show that the number of $d$ electrons is very sensitive to the relative size of the ion core. The theory thus accounts for La's anomalous double-hcp structure and the apparent deviations from the electron-per-atom rules exhibited by certain rare-earth Laves phases.
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Cites
Andersen, O. K. (1975) · Physical Review B · doi:10.1103/physrevb.12.3060 · Cited by 6,556
Simplified LCAO Method for the Periodic Potential Problem
Slater, J. C., & Koster, G. F. (1954) · Physical Review · doi:10.1103/physrev.94.1498 · Cited by 5,189
Electronic structure based on the local atomic environment for tight-binding bands
Haydock, R., Heine, V, & Kelly, M. J. (1972) · Journal of Physics C: Solid State Physics · doi:10.1088/0022-3719/5/20/004 · Cited by 1,137
American Institute of Physics Handbook
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Electronic structure based on the local atomic environment for tight-binding bands. II
Haydock, R., Heine, V, & Kelly, M. J. (1975) · Journal of Physics C: Solid State Physics · doi:10.1088/0022-3719/8/16/011 · Cited by 712
Simple approach to the band-structure problem
Andersen, O. K. (1973) · Solid State Communications · doi:10.1016/0038-1098(73)90210-x · Cited by 327
Topologically close-packed structures of transition metal alloys
Sinha, A. K. (1972) · Progress in Materials Science · doi:10.1016/0079-6425(72)90002-3 · Cited by 284
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Crystal structure from one-electron theory
Skriver, H. L. (1985) · Physical Review B · doi:10.1103/physrevb.31.1909 · Cited by 720
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2020) · Cambridge University Press eBooks · doi:10.1017/9781108555586 · Cited by 269
Zeng, L., Wang, Z., Song, J., Lin, G., Guo, R., Luo, S., Guo, S., Li, K., Yu, P., Zhang, C., et al. (2023) · Advanced Functional Materials · doi:10.1002/adfm.202301929 · Cited by 39
Metadata
- Authors
- Duthie, J. C., & Pettifor, D. G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1977-03-07
- Volume
- 38
- Issue
- 10
- Pages
- 564-567
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2067014828
- Cited by
- 428
- References
- 7
- FWCI
- 6.82
- Type
- journal article
- Language
- en
- Open access
- closed
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