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Cited by 275

The DOI matches its Crossref record; 18 of the 18 references it cites were found in a registry or an index.

Valence-band ordering and magneto-optic exciton fine structure in ZnO

Lambrecht, Walter R. L., Rodina, Anna V., Limpijumnong, Sukit, Segall, B., Meyer, Bruno K.·2002·Physical Review B
DOI 10.1103/physrevb.65.075207
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Abstract

Using first-principles linear muffin-tin orbital density functional band structure calculations, the ordering of the states in the wurtzite ZnO valence-band maximum, split by crystal-field and spin-orbit coupling effects, is found to be ${\ensuremath{\Gamma}}_{7(5)}>{\ensuremath{\Gamma}}_{9(5)}>{\ensuremath{\Gamma}}_{7(1)},$ in which the number in parentheses indicates the parent state without spin-orbit coupling. This results from the negative spin-orbit splitting, which in turn is due to the participation of the Zn $3d$ band. The result is found to be robust even when effects beyond the local density approximation on the Zn $3d$ band position are included. Using a Kohn-Luttinger model parametrized by our first-principles calculations, it is furthermore shown that the binding energies of the excitons primarily derived from each valence band differ by less than the valence-band splittings even when interband coupling effects are included. The binding energies of $n=2$ and $n=1$ excitons, however, are not in a simple $1/4$ ratio. Our results are shown to be in good agreement with the recent magneto-optical experimental data by Reynolds et al. [Phys. Rev. B 60, 2340 (1999)], in spite of the fact that on the basis of these data these authors claimed that the valence-band maximum would have ${\ensuremath{\Gamma}}_{9}$ symmetry. The differences between our and Reynolds' analysis of the data are discussed and arise from the sign of the Land\'e g factor for holes, which is here found to be negative for the upper ${\ensuremath{\Gamma}}_{7}$ band.

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Metadata

Authors
Lambrecht, W. R. L., Rodina, A. V., Limpijumnong, S., Segall, B., & Meyer, B. K.
Venue
Physical Review B
Publisher
American Physical Society (APS)
Published
2002-01-23
Volume
65
Issue
7
ISSN
  • 0163-1829 (ISSN-L)
  • 1095-3795
DOI
10.1103/physrevb.65.075207
OpenAlex
W2055898223
Cited by
275
References
18
FWCI
6.55
Type
journal article
Language
en
Open access
closed

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