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Electron–hole excitations and optical spectra of bulk SrO from many-body perturbation theory

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Abstract

This paper reports the quasiparticle band structure and the optical absorption spectrum of SrO, using many-body perturbation theory. The quasiparticle band structure is calculated within the GW approximation. Taking the electron–hole interaction into consideration, electron–hole pair states and optical excitations are obtained by solving the Bethe–Salpeter equation for the electron–hole two-particle Green function. The calculated band gap for SrO is 6.0 eV, which is in good agreement with the corresponding experimental results. The theoretical result of optical absorption spectrum for SrO is also in close agreement with the experimental data. In particular, the calculated excitation energy for the lowest exciton peak in the optical absorption spectra of SrO reproduces very well the corresponding experimental result.

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Acknowledgments

N.-P. W. acknowledges financial support from The National Natural Science Foundation of China under Grant Nos. 61176081 and 11074136, The Natural Science Foundation of Zhejiang Province under Grant No. Y6100467, and K. C. Wong Magna Fund in Ningbo University.

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Authors and Affiliations

  1. Department of Microelectronic Science and Engineering, Science Faculty, Ningbo University, Fenghua Road 818, Ningbo, 315211, People’s Republic of China

    Bo Pan & Neng-Ping Wang

  2. Institut für Festkörpertheorie, Universität Münster, 48149, Münster, Germany

    Michael Rohlfing

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  1. Bo Pan
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Correspondence to Neng-Ping Wang.

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Pan, B., Wang, NP. & Rohlfing, M. Electron–hole excitations and optical spectra of bulk SrO from many-body perturbation theory. Appl. Phys. A 120, 587–593 (2015). https://doi.org/10.1007/s00339-015-9220-2

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