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

Hide authors affiliations Show authors affiliations: 2 affiliations

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore—560012, India |

S.N. Bose Centre, Kolkatta, India |

Publication type: Journal Article

Publication date: 2005-07-15

American Physical Society (APS)

Journal: Physical Review B

Quartile SCImago

Quartile WOS

Impact factor: 3.7

ISSN: 24699950, 24699969, 10980121, 1550235X

DOI: 10.1103/physrevb.72.045333

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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 journals

	1 2 3 4 5 6 7 8 9
Physical Review B	Physical Review B, 9, 9.89% Physical Review B 9 publications, 9.89%
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 6, 6.59% Journal of Physical Chemistry C 6 publications, 6.59%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 4, 4.4% Journal of Physical Chemistry Letters 4 publications, 4.4%
Chemistry of Materials	Chemistry of Materials, 3, 3.3% Chemistry of Materials 3 publications, 3.3%
Journal of Materials Chemistry A	Journal of Materials Chemistry A, 3, 3.3% Journal of Materials Chemistry A 3 publications, 3.3%
Applied Physics Letters	Applied Physics Letters, 2, 2.2% Applied Physics Letters 2 publications, 2.2%
Physical Review Letters	Physical Review Letters, 2, 2.2% Physical Review Letters 2 publications, 2.2%
International Journal of Nanoscience	International Journal of Nanoscience, 2, 2.2% International Journal of Nanoscience 2 publications, 2.2%
Pramana - Journal of Physics	Pramana - Journal of Physics, 2, 2.2% Pramana - Journal of Physics 2 publications, 2.2%
Journal of Materials Science: Materials in Electronics	Journal of Materials Science: Materials in Electronics, 2, 2.2% Journal of Materials Science: Materials in Electronics 2 publications, 2.2%
Materials Research Express	Materials Research Express, 2, 2.2% Materials Research Express 2 publications, 2.2%
Angewandte Chemie	Angewandte Chemie, 2, 2.2% Angewandte Chemie 2 publications, 2.2%
Angewandte Chemie - International Edition	Angewandte Chemie - International Edition, 2, 2.2% Angewandte Chemie - International Edition 2 publications, 2.2%
Journal of the American Chemical Society	Journal of the American Chemical Society, 2, 2.2% Journal of the American Chemical Society 2 publications, 2.2%
RSC Advances	RSC Advances, 2, 2.2% RSC Advances 2 publications, 2.2%
Journal of Computational Electronics	Journal of Computational Electronics, 2, 2.2% Journal of Computational Electronics 2 publications, 2.2%
Journal of Theoretical and Computational Chemistry	Journal of Theoretical and Computational Chemistry, 1, 1.1% Journal of Theoretical and Computational Chemistry 1 publication, 1.1%
International Journal of Modern Physics B	International Journal of Modern Physics B, 1, 1.1% International Journal of Modern Physics B 1 publication, 1.1%
Journal of Chemical Sciences	Journal of Chemical Sciences, 1, 1.1% Journal of Chemical Sciences 1 publication, 1.1%
Applied Physics A: Materials Science and Processing	Applied Physics A: Materials Science and Processing, 1, 1.1% Applied Physics A: Materials Science and Processing 1 publication, 1.1%
Bulletin of Materials Science	Bulletin of Materials Science, 1, 1.1% Bulletin of Materials Science 1 publication, 1.1%
Journal of Cluster Science	Journal of Cluster Science, 1, 1.1% Journal of Cluster Science 1 publication, 1.1%
Optical and Quantum Electronics	Optical and Quantum Electronics, 1, 1.1% Optical and Quantum Electronics 1 publication, 1.1%
New Journal of Physics	New Journal of Physics, 1, 1.1% New Journal of Physics 1 publication, 1.1%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 1, 1.1% Journal of Physics Condensed Matter 1 publication, 1.1%
Nanotechnology	Nanotechnology, 1, 1.1% Nanotechnology 1 publication, 1.1%
IOP Conference Series: Materials Science and Engineering	IOP Conference Series: Materials Science and Engineering, 1, 1.1% IOP Conference Series: Materials Science and Engineering 1 publication, 1.1%
Journal of Physics: Conference Series	Journal of Physics: Conference Series, 1, 1.1% Journal of Physics: Conference Series 1 publication, 1.1%
Materials Chemistry and Physics	Materials Chemistry and Physics, 1, 1.1% Materials Chemistry and Physics 1 publication, 1.1%
	1 2 3 4 5 6 7 8 9

Citations by publishers

	2 4 6 8 10 12 14 16 18
American Chemical Society (ACS)	American Chemical Society (ACS), 17, 18.68% American Chemical Society (ACS) 17 publications, 18.68%
American Physical Society (APS)	American Physical Society (APS), 11, 12.09% American Physical Society (APS) 11 publications, 12.09%
Springer Nature	Springer Nature, 11, 12.09% Springer Nature 11 publications, 12.09%
Elsevier	Elsevier, 8, 8.79% Elsevier 8 publications, 8.79%
Wiley	Wiley, 8, 8.79% Wiley 8 publications, 8.79%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 8, 8.79% Royal Society of Chemistry (RSC) 8 publications, 8.79%
IOP Publishing	IOP Publishing, 7, 7.69% IOP Publishing 7 publications, 7.69%
World Scientific	World Scientific, 5, 5.49% World Scientific 5 publications, 5.49%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 2, 2.2% American Institute of Physics (AIP) 2 publications, 2.2%
IEEE	IEEE, 2, 2.2% IEEE 2 publications, 2.2%
Pleiades Publishing	Pleiades Publishing, 1, 1.1% Pleiades Publishing 1 publication, 1.1%
Taylor & Francis	Taylor & Francis, 1, 1.1% Taylor & Francis 1 publication, 1.1%
Optical Society of America	Optical Society of America, 1, 1.1% Optical Society of America 1 publication, 1.1%
Hindawi Limited	Hindawi Limited, 1, 1.1% Hindawi Limited 1 publication, 1.1%
Trans Tech Publications	Trans Tech Publications, 1, 1.1% Trans Tech Publications 1 publication, 1.1%
Wuhan University of Technology	Wuhan University of Technology, 1, 1.1% Wuhan University of Technology 1 publication, 1.1%
SPIE	SPIE, 1, 1.1% SPIE 1 publication, 1.1%
Optical Society of India	Optical Society of India, 1, 1.1% Optical Society of India 1 publication, 1.1%
Chinese Physical Society	Chinese Physical Society, 1, 1.1% Chinese Physical Society 1 publication, 1.1%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 1.1% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 publication, 1.1%
	2 4 6 8 10 12 14 16 18

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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

RIS |

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RIS Copy

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 -

BibTex

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BibTex Copy

@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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Publisher

American Physical Society (APS)

Journal

Physical Review B

Quartile SCImago

Quartile WOS

Impact factor

3.7

ISSN

24699950 (Print)
24699969 (Electronic)
10980121 (Print)
1550235X (Electronic)

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