Physical Review B, volume 72, issue 4, publication number 045333
Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach
RANJANI VISWANATHA
1
,
Mahima Makkar
1
,
Sameer Sapra
1
,
Tanusri Saha-Dasgupta
2
,
D. D. SARMA
1
,
D. S. Sarma
1
1
2
S.N. Bose Centre, Kolkatta, India
|
Publication type: Journal Article
Publication date: 2005-07-15
Journal:
Physical Review B
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Abstract
We analyze the electronic structure of group III-V semiconductors obtained within full potential linearized augmented plane wave (FP-LAPW) method and arrive at a realistic and minimal tight-binding model, parameterized to provide an accurate description of both valence and conduction bands. It is shown that cation sp3 - anion sp3d5 basis along with the next nearest neighbor model for hopping interactions is sufficient to describe the electronic structure of these systems over a wide energy range, obviating the use of any fictitious s* orbital, employed previously. Similar analyses were also performed for the II-VI semiconductors, using the more accurate FP-LAPW method compared to previous approaches, in order to enhance reliability of the parameter values. Using these parameters, we calculate the electronic structure of III-V and II-VI nanocrystals in real space with sizes ranging upto about 7 nm in diameter, establishing a quantitatively accurate description of the band-gap variation with sizes for the various nanocrystals by comparing with available experimental results from the literature.
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Citations by publishers
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12
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17 publications, 18.68%
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Taylor & Francis
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Optical Society of America
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Hindawi Limited
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Trans Tech Publications
1 publication, 1.1%
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Wuhan University of Technology
1 publication, 1.1%
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SPIE
1 publication, 1.1%
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Optical Society of India
1 publication, 1.1%
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Chinese Physical Society
1 publication, 1.1%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 1.1%
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2
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18
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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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VISWANATHA R. et al. Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach // Physical Review B. 2005. Vol. 72. No. 4. 045333
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VISWANATHA R., Makkar M., Sapra S., Saha-Dasgupta T., SARMA D. D., Sarma D. S. Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach // Physical Review B. 2005. Vol. 72. No. 4. 045333
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TY - JOUR
DO - 10.1103/physrevb.72.045333
UR - https://doi.org/10.1103/physrevb.72.045333
TI - Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach
T2 - Physical Review B
AU - VISWANATHA, RANJANI
AU - Sapra, Sameer
AU - Saha-Dasgupta, Tanusri
AU - SARMA, D. D.
AU - Makkar, Mahima
AU - Sarma, D. S.
PY - 2005
DA - 2005/07/15 00:00:00
PB - American Physical Society (APS)
IS - 4
VL - 72
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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@article{2005_VISWANATHA,
author = {RANJANI VISWANATHA and Sameer Sapra and Tanusri Saha-Dasgupta and D. D. SARMA and Mahima Makkar and D. S. Sarma},
title = {Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach},
journal = {Physical Review B},
year = {2005},
volume = {72},
publisher = {American Physical Society (APS)},
month = {jul},
url = {https://doi.org/10.1103/physrevb.72.045333},
number = {4},
doi = {10.1103/physrevb.72.045333}
}
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