The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Electronic, optical, and structural properties of some wurtzite crystals
Abstract
Using the first-principles orthogonalized linear-combination-of-atomic-orbitals method in the local-density approximation, the electronic structures and the linear-optical properties of ten wurtzite crystals, BeO, BN, SiC, AlN, GaN, InN, ZnO, ZnS, CdS, and CdSe are investigated. Results on band structures, density of states, effective masses, charge-density distributions, and effective charges are presented and compared. Optical properties of the ten wurtzite crystals up to a photon energy of 40 eV are calculated and the dielectric functions are resolved into components perpendicular and parallel to the z axis. The calculated results are compared with the available experimental data and other recent calculations. The structural properties of the wurtzite crystals are also studied by means of local-density total-energy calculations. It is shown that the calculated equilibrium volume and the bulk modulus are in good agreement with recent experimental data.
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Citations
Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Cited by
A comprehensive review of ZnO materials and devices
Özgür, Ü., Alivov, Y. I., Liu, C., Teke, A., Reshchikov, M. A., Doğan, S., Avrutin, V., Cho, S.-J., & Morkoç, H. (2005) · Journal of Applied Physics · doi:10.1063/1.1992666 · Cited by 11,463
Structure, Properties and Applications of Two‐Dimensional Hexagonal Boron Nitride
Roy, S., Zhang, X., Puthirath, A. B., Meiyazhagan, A., Bhattacharyya, S., Rahman, M. M., Babu, G., Susarla, S., Saju, S. K., Tran, M. K., et al. (2021) · Advanced Materials · doi:10.1002/adma.202101589 · Cited by 871
Room-Temperature Ferromagnetism in Carbon-Doped ZnO
Pan, H., Yi, J. B., Shen, L., Wu, R. Q., Yang, J. H., Lin, J. Y., Feng, Y. P., Ding, J., Van, L. H., & Yin, J. H. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.127201 · Cited by 815
Self-interaction and relaxation-corrected pseudopotentials for II-VI semiconductors
Vogel, D., Krüger, P., & Pollmann, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.5495 · Cited by 281
Valence-band ordering and magneto-optic exciton fine structure in ZnO
Lambrecht, W. R. L., Rodina, A. V., Limpijumnong, S., Segall, B., & Meyer, B. K. (2002) · Physical Review B · doi:10.1103/physrevb.65.075207 · Cited by 275
Metadata
- Authors
- Xu, Y.-N., & Ching, W. Y.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1993-08-15
- Volume
- 48
- Issue
- 7
- Pages
- 4335-4351
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2056898228
- Cited by
- 753
- References
- 1
- FWCI
- 4.72
- Type
- journal article
- Language
- en
- Open access
- closed
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