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| Natura: | Preprint |
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2026
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| Accesso online: | https://arxiv.org/abs/2603.13074 |
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| _version_ | 1866912964972380160 |
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| author | Russkikh, K. I. Golovatenko, A. A. Rodina, A. V. |
| author_facet | Russkikh, K. I. Golovatenko, A. A. Rodina, A. V. |
| contents | We present a semi-analytical theoretical kp-study of the energy structure and optical transitions in spherical core-shell InP/ZnSe nanocrystals. We use the eight-band Kane model and the six-band Luttinger Hamiltonian in the spherical approximation to calculate the electron and hole energy spectra, respectively. The influence of the Coulomb interaction is considered perturbatively. The one- and two-photon absorption spectra are calculated as functions of the band offsets between the InP core and ZnSe shell. Exciton states responsible for the main features in the two-photon absorption spectra of InP/ZnSe nanocrystals are identified and the spectral dependence of the linear-circular dichroism signal is predicted. We show that in the presence of inhomogeneous broadening, the transition to the ground two-photon-active exciton state can be hidden behind intense transitions to higher-lying states. A comparison of the calculated one- and two-photon absorption spectra with the available experimental data shows that, depending on the lattice strain in the InP core, the range of possible valence band offsets is 0.85-1 eV. The determined range exceeds the natural valence band offset of 0.57 eV and indicates the presence of electric dipoles formed by the preferential Zn-P bonds at the InP/ZnSe heterointerface. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_13074 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Band offsets in InP/ZnSe nanocrystals evaluated using two-photon transitions analysis Russkikh, K. I. Golovatenko, A. A. Rodina, A. V. Mesoscale and Nanoscale Physics We present a semi-analytical theoretical kp-study of the energy structure and optical transitions in spherical core-shell InP/ZnSe nanocrystals. We use the eight-band Kane model and the six-band Luttinger Hamiltonian in the spherical approximation to calculate the electron and hole energy spectra, respectively. The influence of the Coulomb interaction is considered perturbatively. The one- and two-photon absorption spectra are calculated as functions of the band offsets between the InP core and ZnSe shell. Exciton states responsible for the main features in the two-photon absorption spectra of InP/ZnSe nanocrystals are identified and the spectral dependence of the linear-circular dichroism signal is predicted. We show that in the presence of inhomogeneous broadening, the transition to the ground two-photon-active exciton state can be hidden behind intense transitions to higher-lying states. A comparison of the calculated one- and two-photon absorption spectra with the available experimental data shows that, depending on the lattice strain in the InP core, the range of possible valence band offsets is 0.85-1 eV. The determined range exceeds the natural valence band offset of 0.57 eV and indicates the presence of electric dipoles formed by the preferential Zn-P bonds at the InP/ZnSe heterointerface. |
| title | Band offsets in InP/ZnSe nanocrystals evaluated using two-photon transitions analysis |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2603.13074 |