Atomistic tight-binding theory of CdSe wurtzite nanocrystals
We present a theoretical study on the electronic structures of CdSe wurtzite nanocrystals by means of the tight-binding method and configuration interaction. Based on the single-particle states, several physical properties including density of states (DOS), band gaps, excitonic gaps and electron-ho...
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Science Faculty of Chiang Mai University
2019
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th-cmuir.6653943832-661722019-08-21T09:18:23Z Atomistic tight-binding theory of CdSe wurtzite nanocrystals Akkaratch Sukerm Worasak Sukkabot Tight-binding calculations CdSe wurtzite nanocrystal exciton We present a theoretical study on the electronic structures of CdSe wurtzite nanocrystals by means of the tight-binding method and configuration interaction. Based on the single-particle states, several physical properties including density of states (DOS), band gaps, excitonic gaps and electron-hole coulomb interactions are mainly investigated. The observed calculations are mainly sensitive with sizes. The reduction of the single-particle and excitonic gaps is realized owing to the quantum confinement. In addition, the electron-hole coulomb energies are decreased with the increasing sizes. The calculated results are consistent with the other theoretical and experimental data. Finally, our studies elucidate and quantify the importance of sizes in determining the electronic properties of CdSe wurtzite nanocrystals which can aid to design for the further application. 2019-08-21T09:18:23Z 2019-08-21T09:18:23Z 2015 Chiang Mai Journal of Science 42, 4 (Oct 2015), 990 - 995 0125-2526 http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=6254 http://cmuir.cmu.ac.th/jspui/handle/6653943832/66172 Eng Science Faculty of Chiang Mai University |
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Tight-binding calculations CdSe wurtzite nanocrystal exciton Akkaratch Sukerm Worasak Sukkabot Atomistic tight-binding theory of CdSe wurtzite nanocrystals |
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We present a theoretical study on the electronic structures of CdSe wurtzite nanocrystals by means of the tight-binding method and configuration interaction. Based on the single-particle states, several physical properties including density of states (DOS), band gaps, excitonic gaps and electron-hole coulomb interactions are mainly investigated. The observed calculations are mainly sensitive with sizes. The reduction of the single-particle and excitonic gaps is realized owing to the quantum confinement. In addition, the electron-hole coulomb energies are decreased with the increasing sizes. The calculated results are consistent with the other theoretical and experimental data. Finally, our studies elucidate and quantify the importance of sizes in determining the electronic properties of CdSe wurtzite nanocrystals which can aid to design for the further application. |
author |
Akkaratch Sukerm Worasak Sukkabot |
author_facet |
Akkaratch Sukerm Worasak Sukkabot |
author_sort |
Akkaratch Sukerm |
title |
Atomistic tight-binding theory of CdSe wurtzite nanocrystals |
title_short |
Atomistic tight-binding theory of CdSe wurtzite nanocrystals |
title_full |
Atomistic tight-binding theory of CdSe wurtzite nanocrystals |
title_fullStr |
Atomistic tight-binding theory of CdSe wurtzite nanocrystals |
title_full_unstemmed |
Atomistic tight-binding theory of CdSe wurtzite nanocrystals |
title_sort |
atomistic tight-binding theory of cdse wurtzite nanocrystals |
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Science Faculty of Chiang Mai University |
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2019 |
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http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=6254 http://cmuir.cmu.ac.th/jspui/handle/6653943832/66172 |
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