Atomistic tight-binding computations of the electronic properties of ZnSe/ZnS core/shell nanocrystals under applied electric field |
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| Affiliation: | 1. Key Laboratory of Semiconductor Materials Science, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, China;2. State Key Laboratory on Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, China;1. Material Science Laboratory, Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi 110021, India;2. Department of Electronics, SGTB Khalsa College, University of Delhi, Delhi 110007, India;3. Department of Electronics, BCAS, University of Delhi, New Delhi 110075, India;1. Atatürk University, Sciences Faculty, Department of Chemistry, 25240 Erzurum, Turkey;2. Atatürk University, East Anatolian High-Technology Research and Application Center, 25240 Erzurum, Turkey;1. School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031, People''s Republic of China;2. Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu 610031, People''s Republic of China;3. State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi''an 710072, People''s Republic of China |
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| Abstract: | The effect of applied electric field on the electronic properties of spherical ZnSe/ZnS core/shell nanocrystals of experimentally relevant size is investigated by the atomistic tight-binding theory. Using this model, the calculations show that a range of electronic properties, including the single-particle spectra, atomistic characters, charge densities, excitonic energies, ground-state coulomb energies, overlaps of the electron and hole wave functions and oscillation strengths, all depend on the strengths of the applied electric field. The spatial distributions of the electron and hole wave functions are induced by the applied electric field. The analysis demonstrates a clear manipulation of the electronic properties of ZnSe/ZnS core/shell nanocrystals by introducing and varying the applied electric field strengths. According to the comprehensive investigations, I suppose that these atomistic computations will be of prospective help for experimental works concentrated on the new optoelectronic devices based on the applied electric field. |
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| Keywords: | Tight-binding theory ZnSe/ZnS Electric field |
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