Abstract
The problem of the optimal choice of parameters of the empirical tight-binding method to simulate the quantum-confined levels of Si nanocrystals embedded into an amorphous SiO2 matrix is studied. To account for tunneling from nanocrystals to SiO2, the amorphous matrix is considered as a virtual crystal with a band structure similar to that of SiO2 β-cristobalite and with a lattice constant matched to the lattice constant of bulk Si. The electron density distributions in k space for electrons and holes quantum-confined in a Si nanocrystal in SiO2 are calculated in a wide energy region, which provides a means to see clearly the possibility of the existence of efficient direct optical transitions for hot electrons at the upper quantum-confined levels.
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REFERENCES
L. Pavesi, L. dal Negro, C. Mazzoleni, G. Franzo, and F. Priolo, Nature (London, U.K.) 408, 440 (2000).
O. Boyraz and B. Jalali, Opt. Express 12, 5269 (2004).
F. Priolo, T. Gregorkiewicz, T. Galli, et al., Nat. Nanotechnol. 9, 19 (2014).
D. Timmerman, I. Izeddin, P. Stallinga, I. N. Yassievich, and T. Gregorkiewicz, Nat. Photon. 2, 105 (2008).
E. de Jong, S. Saeed, W. Sinke, and T. Gregorkiewicz, Sol. Energy Mater. Sol. Cells 135, 67 (2015).
S. Saeed, E. M. L. D. de Jong, K. Dohnalova, and T. Gregorkiewicz, Nat. Commun. 5, 4665 (2014).
M. Schnabel, C. Weiss, P. Löper, P. R. Wilshaw, and S. Janz, Phys. Status Solidi A 212, 1649 (2015).
J.-H. Park, L. Gu, G. vonMaltzahn, E. Ruoslahti, S. N. Bhatia, and M. J. Sailor, Nat. Mater. 8, 331 (2009).
K. Seino, F. Bechstedt, and P. Kroll, Phys. Rev. B 82, 085320 (2010).
I. Marri, M. Govoni, and S. Ossicini, Sol. Energy Mater. Sol. Cells 145, 162 (2016).
J.-M. Jancu, R. Scholz, F. Beltram, and F. Bassani, Phys. Rev. B 57, 6493 (1998).
A. V. Gert, M. O. Nestoklon, A. A. Prokofiev, and I. N. Yassievich, Semiconductors 51, 1274 (2017).
M. O. Nestoklon, A. N. Poddubny, P. Voisin, and K. Dohnalova, J. Phys. Chem. C 120, 18901 (2016).
T. B. Boykin, G. Klimeck, and F. Oyafuso, Phys. Rev. B 69, 115201 (2004).
Y. M. Niquet, D. Rideau, C. Tavernier, H. Jaouen, and X. Blase, Phys. Rev. B 79, 245201 (2009).
S. M. Sze, Physics of Semiconductor Devices (Wiley, New York, 1981).
Y. Xu and W. Y. Ching, Phys. Rev. B 44, 11048 (1991).
M. Ribeiro, L. R. C. Fonseca, and L. G. Ferreira, Phys. Rev. B 79, 241312(R) (2009).
C. Delerue, M. Lannoo, and G. Allan, Phys. Rev. Lett. 84, 2457 (2000).
A. S. Moskalenko, J. Berakdar, A. A. Prokofiev, and I. N. Yassievich, Phys. Rev. B 76, 085427 (2007).
M. V. Wolkin, J. Jorne, P. M. Fauchet, G. Allan, and C. Delerue, Phys. Rev. Lett. 82, 197 (1999).
S. Takeoka, M. Fujii, and S. Hayashi, Phys. Rev. B 62, 16820 (2000).
W. D. A. M. de Boer, D. Timmerman, K. Dohnalova, I. N. Yassievich, H. Zhang, W. J. Buma, and T. Gregorkiewicz, Nat. Nanotechnol. 5, 878 (2010).
S. Furukawa and T. Miyasatoo, Phys. Rev. B 38, 5726 (1988).
ACKNOWLEDGMENTS
The study was supported in part by the Russian Foundation for Basic Research, project nos. 16-02-00337 and 18-52-54002, and the Presidium of the Russian Academy of Sciences, program no. 31.
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Translated by E. Smorgonskaya
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Belolipetskiy, A.V., Nestoklon, M.O. & Yassievich, I.N. Simulation of Electron and Hole States in Si Nanocrystals in a SiO2 Matrix: Choice of Parameters of the Empirical Tight-Binding Method. Semiconductors 52, 1264–1268 (2018). https://doi.org/10.1134/S1063782618100020
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DOI: https://doi.org/10.1134/S1063782618100020