Journal of Chemical Physics, volume 105, issue 9, pages 3612-3626
Quantum confinement effects in semiconductor clusters. II
Publication type: Journal Article
Publication date: 1996-09-01
Journal:
Journal of Chemical Physics
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 4.4
ISSN: 00219606, 10897690
DOI:
10.1063/1.472232
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
The band gaps and spectral shifts of CdS, CdSe, CdTe, AlP, GaP, GaAs, and InP semiconductor clusters are calculated from band structure calculations using accurate local and nonlocal empirical pseudopotentials. The effect of spin-orbit coupling on the band structures is included in the calculations when they are important. The complete set of pseudopotential parameters and full computational details are reported for all these semiconductors. The calculated spectral shifts of zinc-blende and wurtzite CdS, wurtzite CdSe, zinc-blende CdTe, and zinc-blende InP clusters are in good agreement with experiments over a range of cluster sizes. The effect of crystal structure on the band gaps is small in large clusters but becomes important in small clusters. Spin-orbit coupling splits the valence band into A, B, and C sub-bands and we identify transitions arising from these sub-bands in the spectra of both CdSe and CdTe clusters. These results demonstrate that the empirical pseudopotential method yields unique insights into the quantum confinement effects and is a powerful quantitative tool for calculating the spectral shifts of semiconductor clusters.
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Citations by publishers
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Elsevier
28 publications, 36.84%
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American Chemical Society (ACS)
10 publications, 13.16%
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2 publications, 2.63%
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The Royal Society
1 publication, 1.32%
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Polska Akademia Nauk
1 publication, 1.32%
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IEEE
1 publication, 1.32%
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1 publication, 1.32%
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Taylor & Francis
1 publication, 1.32%
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1 publication, 1.32%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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TOMASULO A., RAMAKRISHNA M. V. Quantum confinement effects in semiconductor clusters. II // Journal of Chemical Physics. 1996. Vol. 105. No. 9. pp. 3612-3626.
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TOMASULO A., RAMAKRISHNA M. V. Quantum confinement effects in semiconductor clusters. II // Journal of Chemical Physics. 1996. Vol. 105. No. 9. pp. 3612-3626.
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TY - JOUR
DO - 10.1063/1.472232
UR - https://doi.org/10.1063/1.472232
TI - Quantum confinement effects in semiconductor clusters. II
T2 - Journal of Chemical Physics
AU - TOMASULO, ANTONIETTA
AU - RAMAKRISHNA, MUSHTI V.
PY - 1996
DA - 1996/09/01 00:00:00
PB - American Institute of Physics (AIP)
SP - 3612-3626
IS - 9
VL - 105
SN - 0021-9606
SN - 1089-7690
ER -
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@article{1996_TOMASULO,
author = {ANTONIETTA TOMASULO and MUSHTI V. RAMAKRISHNA},
title = {Quantum confinement effects in semiconductor clusters. II},
journal = {Journal of Chemical Physics},
year = {1996},
volume = {105},
publisher = {American Institute of Physics (AIP)},
month = {sep},
url = {https://doi.org/10.1063/1.472232},
number = {9},
pages = {3612--3626},
doi = {10.1063/1.472232}
}
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TOMASULO, ANTONIETTA, and MUSHTI V. RAMAKRISHNA. “Quantum confinement effects in semiconductor clusters. II.” Journal of Chemical Physics, vol. 105, no. 9, Sep. 1996, pp. 3612-3626. https://doi.org/10.1063/1.472232.