SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001)

W.G. Schmidt, J.L. FATTEBERT, J. BERNHOLC, F. BECHSTEDT, Surface Review and Letters 6 (1999) 1159–1165.

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Journal Article | Published | English
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Abstract
<jats:p> We calculate the reflectance anisotropy for GaP(001)(2×4) surfaces using a real-space multigrid method and ab initio pseudopotentials. Our results obtained within DFT-LDA show good qualitative agreement with recent experiments. This holds in particular for the stoichiometric trends. A strong negative anisotropy at low photon energies is linked to the formation of Ga–Ga bonds along the [110] direction. There are discrepancies, however, with respect to the line shape and the energetic positions of characteristic peaks. Substantial improvement is achieved by using a numerically efficient GW approach with approximations for local-field effects and dynamical screening. We find that the spectral features related to transitions between surface perturbed bulk wave functions are more strongly affected by self-energy corrections than anisotropies directly linked to surface electronic states. </jats:p>
Publishing Year
Journal Title
Surface Review and Letters
Volume
6
Issue
6
Page
1159-1165
Financial disclosure
Article Processing Charge funded by the Deutsche Forschungsgemeinschaft and the Open Access Publication Fund of LibreCat University.
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Schmidt WG, FATTEBERT JL, BERNHOLC J, BECHSTEDT F. SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001). Surface Review and Letters. 1999;6(6):1159-1165. doi:10.1142/s0218625x99001281
Schmidt, W. G., FATTEBERT, J. L., BERNHOLC, J., & BECHSTEDT, F. (1999). SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001). Surface Review and Letters, 6(6), 1159–1165. https://doi.org/10.1142/s0218625x99001281
@article{Schmidt_FATTEBERT_BERNHOLC_BECHSTEDT_1999, title={SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001)}, volume={6}, DOI={10.1142/s0218625x99001281}, number={6}, journal={Surface Review and Letters}, author={Schmidt, Wolf Gero and FATTEBERT, J. L. and BERNHOLC, J. and BECHSTEDT, F.}, year={1999}, pages={1159–1165} }
Schmidt, Wolf Gero, J. L. FATTEBERT, J. BERNHOLC, and F. BECHSTEDT. “SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001).” Surface Review and Letters 6, no. 6 (1999): 1159–65. https://doi.org/10.1142/s0218625x99001281.
W. G. Schmidt, J. L. FATTEBERT, J. BERNHOLC, and F. BECHSTEDT, “SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001),” Surface Review and Letters, vol. 6, no. 6, pp. 1159–1165, 1999.
Schmidt, Wolf Gero, et al. “SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001).” Surface Review and Letters, vol. 6, no. 6, 1999, pp. 1159–65, doi:10.1142/s0218625x99001281.

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