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Home»Articles»First-Principles Study of Dielectric Constant and Polarizability in Two Carbon Nanotubes

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Asian Journal of Science and Applied Technology (AJSAT)

Editor Dr. Balaji Ramachandran
Print ISSN : 2249 - 0698
Frequency : Half-yearly

First-Principles Study of Dielectric Constant and Polarizability in Two Carbon Nanotubes

Author : H. R. Sreepad
Volume 7 No.1 January-June 2018 pp 8-10

Abstract

First-principles calculations have been carried out on two Carbon Nanotubes having 54 and 72 carbon atoms. The Electronic density of state reveals that the materials show metallic nature. Dielectric constant has been computed in case of Carbon Nanotubes C54 and C72. The value of dielectric constant in Carbon Nanotube C54 comes out to be 7.06, 6.28 and 14.53 along X, Y and Z axes respectively and its average value comes out to be 9.29. Value of dielectric constant in Carbon Nanotube C72 comes out to be 167, 168 and 737 along X, Y and Z axes respectively and its average value comes out to be 357. Polarizability of Carbon Nanotube C54 has been estimated and it comes out to be 116(Å)3, 111(Å)3 and 142(Å)3 along X, Y and Z axis respectively. Polarizability in case of Carbon Nanotube C72 comes out to be 171(Å)3, 171(Å)3 and 173(Å)3 along X, Y and Z axes respectively.

Keywords

Carbon Nanotube, EDOS, First-principles calculations, Dielectric constant, Polarizability

Full Text:

References

[1] S. Iijima, Nature, Vol. 354, 6348, pp. 56-58, 1991.
[2] M. F. Yu, O. Lourie, M. J. Dyer, K. Moloni, T. F. Kelly and R.S. Ruoff, “Strength and Breaking Mechanism of Multiwalled Carbon Nanotubes under Tensile Load”, Science, Vol. 287, No. 5453, pp. 637–640, 2000.
[3] R. Martel, V. Derycke, C. Lavoie, J. Appenzeller, K. Chan and J. Tersoff, Ph. Avouris, “Ambipolar Electrical Transport in Semiconducting Single-Wall Carbon Nanotubes”, Phys. Rev. Lett., Vol. 87, No. 25, pp. 256805, 2001.
[4] E. J. Petersen, X. Tu, M. Dizdaroglu, M. Zheng and B. C. Nelson, “Protective Roles of Single-Wall Carbon Nanotubes in Ultrasonication-Induced DNA Base Damage”, Small Vol. 9, No. 2, pp. 205, 2013.
[5] H. Dai, J. H. Hafner, A. G. Rinzler, D.T. Colbert and R. E. Smalley, Nature, Vol. 384, pp. 147 – 150, 1996.
[6] Balaji Sitharaman, Lalwani, Gaurav, Anu Gopalan, Michael D’Agati, Jeyantt Srinivas Sankaran, Stefan Judex and Yi-Xian Qin, “Porous Three-Dimensional Carbon Nanotube Scaffolds for Tissue Engineering”, Journal of Biomedical Materials Research Part A, Vol. 103, pp. 3212–3225, 2015.
[7] Haddon, C. Robert, Laura P. Zanello, Bin Zhao, Hui Hu, “Bone Cell Proliferation on Carbon Nanotubes”, Nano Letters Vol. 6, No. 3, pp. 562–567, 2006.
[8] Shi, Xinfeng, Sitharaman, Balaji, Pham, P. Quynh, Liang, Feng, Wu, Katherine, W. Edward Billups, , Wilson, J. Lon, Mikos and G. Antonios, “Fabrication of Porous Ultra-Short Single-Walled Carbon Nanotubenanocomposite Scaffolds for Bone Tissue Engineering”. Biomaterials, Vol. 28, No. 28): pp. 4078–4090, 2007.
[9] Sitharaman, Balaji, Shi, Xinfeng, Walboomers, X. Frank, Liao, Hongbing, Cuijpers, Vincent, Wilson, J. Lon, Mikos, G. Antonios, Jansen and A. John, “In Vivo Biocompatibility of Ultra-Short Single-Walled Carbon Nanotube/Biodegradable Polymer Nanocomposites for Bone Tissue Engineering”, Bone, Vol. 43, No. 2, pp. 362–370,2008.
[10] M. S. Dresselhaus, G. Dresselhaus and P. C. Eklund, “Science of Fullerenes and Carbon Nanotubes”, Academic Press, San Diego, 1996.
[11] M. S. Dresselhaus, G. Dresselhaus and P. Avouris, Eds., “Carbon Nanotubes: Synthesis, Structure, Properties, and Applications”, Vol. 80, Springer, Berlin, 2001.
[12] R. R. Schlittler, J. W. Seo, J. K. Gimzewski, C. Durkan, M. S. M. Saifullah and M. E. Welland, Science, Vol. 292, No. 5519, pp. 1136-1139, 11 May 2001.
[13] Michael J. O’Connell, Sergei M. Bachilo, Chad B. Huffman, Valerie C. Moore, Michael S. Strano,1 Erik H. Haroz, Kristy L. Rialon, Peter J. Boul, William H. Noon, Carter Kittrell, Jianpeng Ma, Robert H. Hauge, R. Bruce Weisman, Richard E. Smalley, “Band Gap Fluorescence from Individual Single-Walled Carbon Nanotubes”, Science, Vol. 297, pp. 593-59626, July 2002.
[14] Sergei M. Bachilo, Michael S. Strano, Carter Kittrell, Robert H. Hauge, Richard E. Smalley and R. Bruce Weisman, “Structure-Assigned Optical Spectra of Single-Walled, Carbon Nanotubes”, Science, Vol. 298, pp. 2361-2366, 20 December 2002.
[15] Ph. Poncharal, Z. L. Wang, D. Ugarte and W. A. de Heer, Science, Vol. 283, No. 5407, pp. 1513-1516, 1999.
[16] Jing Kong, Nathan R. Franklin, Chongwu Zhou, Michael G. Chapline, Shu Peng, Kyeongjae Cho and Hongjie Dai, Science, Vol. 287, No. 5453, pp. 622-625, 2000.
[17] P. G. Collins, K. Bradley, M. Ishigami and A. Zettl, Science, Vol. 287, No. 5459, pp. 1801-1804, 2000.
[18] A. C. Dillon, K. M. Jones, T. A. Bekkedahl, C. H. Kiang, D. S. Bethune and M. J. Heben, Nature, Vol. 386, pp. 377 – 379, 1997.
[19] Q. H. Wang, A. A. Setlur, J. M. Lauerhaas, J. Y. Dai, E. W. Seeligand and R. P. H. Chang, “A Nanotube-based Field-Emission Flat Panel Display”, Applied Physics Letters, Vol. 72, pp. 2912-2913, 1998, DOI: http://dx.doi.org/10.1063/1.121493
[20] Shoushan Fan, Michael, G. Chapline, Nathan, R. Franklin, Thomas, W. Tombler, Alan, M. Cassell and Hongjie Dai, “Self-Oriented Regular Arrays of Carbon Nanotubes and their Field Emission Properties”, Science, Vol. 283, No. 5401) pp. 512-514, 1999.
[21] Cheol Jin Lee, Dae Woon Kim, Tae Jae Lee, Young Chul Choi, Young Soo Park, Won Seok Kim, Young Hee Lee, Won Bong Choi, Nae Sung Lee, Jong Min Kim, Yong Gak Choi and Soo Chang Yu, “Synthesis of Uniformly Distributed Carbon Nanotubes on a Large Area of Si substrates by Thermal Chemical Vapor Deposition”, Appl. Phys. Lett., Vol. 75, No. 1721, 1999, [Online]. Available: http://dx.doi.org/10.1063/1.124837
[22] H. R. Sreepad, K. P. S. S. Hembram and U.V. Waghmare, AIP Conf. Proc., Vol. 1349, pp. 871-872, 2011.
[23] H. R. Sreepad, Mol. Crys. Liq. Cryst., Vol. 625, No. 1, pp-195-201, 2016.
[24] M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias and J. D. Joannopoulas, Rev. Mod. Phys., Vol. 64, No. 4, pp. 1045-1097, 1992.
[25] H. R. Sreepad, H. R. Ravi, Khaleel Ahmed and U. V. Waghmare, AIP Conf. Proc., Vol. 1447, No. 1, pp. 793-794, 2013.
[26] H. R. Sreepad, Mol. Crys. Liq. Cryst., Vol. 634, No. 1, pp. 91-96, 2016.
[27] [Online].Available:http://en.wikipedia.org/wiki/Molecular_modelling
[28] S. Baroni, S.A.Dal Corso, P. DeGironcoli and Gianozzi, [Online]. Available: http://www.pwscf.org
[29] J. P. Perdew and A. Zunger, Phys. Rev. B, Vol. 23, pp. 5048-5079, 1981.
[30] D. Vanderbilt, Phys. Rev. B. Vol. 41, pp. 7892–7895, 1990.
[31] H. J. Monkhorst and J. D. Pack, Phys. Rev. B, Vol. 13, pp. 5188-5192, 1976.
[32] M. A. Methfessel and Paxton, Phys. Rev. B, Vol. 40, pp. 3616 – 3621, 1089.
[33] [Online]. Available: http://avogadro.openmolecules.net/wiki/
[34]A. Kokalj, Comp. Mater. Sci., Vol. 28, pp. 155-168, 2003, [Online]. Available: http://www.xcrysden.org/

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First-principles calculations have been carried out on two Carbon Nanotubes having 54 and 72 carbon atoms. The Electronic density of state reveals that the materials show metallic nature. Dielectric constant has been computed in case of Carbon Nanotubes C54 and C72. The value of dielectric constant in Carbon Nanotube C54 comes out to be 7.06, 6.28 and 14.53 along X, Y and Z axes respectively and its average value comes out to be 9.29. Value of dielectric constant in Carbon Nanotube C72 comes out to be 167, 168 and 737 along X, Y and Z axes respectively and its average value comes out to be 357. Polarizability of Carbon Nanotube C54 has been estimated and it comes out to be 116(Å)3, 111(Å)3 and 142(Å)3 along X, Y and Z axis respectively. Polarizability in case of Carbon Nanotube C72 comes out to be 171(Å)3, 171(Å)3 and 173(Å)3 along X, Y and Z axes respectively.

Editor-in-Chief
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Department of Applied Sciences, Nicholls State University, Louisiana, United States
[email protected]
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Department of Physics, United Arab Emirates University, UAE
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Department of Biology, United Arab Emirates University, UAE
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Department of Chemistry, University of Athens, Greece
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Institute of Biological Sciences, University of Malaya, Malaysia
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Department of Medicine, Alpert Medical School of Brown University, USA
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Institute of Mathematical Sciences, University of Malaya, Malaysia
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Institute of Mathematical Sciences, University of Malaya, Malaysia
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Department of Physics, University of Malaya, Malaysia
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Dr. Amizah Malip
Department of Applied Mathematics, University of Malaya, Malaysia
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Dr. Azzuliani Binti Supangat
Department of Physics, University of Malaya, Malaysia
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Prof. Mohamed Toutounji
Professor, Department of Chemistry, United Arab Emirates University, UAE
[email protected]
Dr. Mohd Azmi Haron
Institute of Mathematical Sciences, University of Malaya, Malaysia
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Prof. Noordini Mohamad Salleh
Department of Chemistry, University of Malaya, Malaysia
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Dr. Ibrahim Bin Mohamed
Institute of Mathematical Sciences, University of Malaya, Malaysia
[email protected]
Dr. Halijah Ibrahim
Institute of Biological Sciences, University of Malaya, Malaysia
[email protected]
Dr. S. Chandra Kishore
Assistant Professor, University of Information Science and Technology,
“St. Paul The Apostle”, Macedonia, Greece
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Dr. Salah Nasri
Department of Physics, United Arab Emirates University, UAE
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    Editorial Note

    Editorial Dr. Balaji Ramachandran

    Editor-in-Chief
    Dr. Balaji Ramachandran
    Department of Applied Sciences, Nicholls State University, Louisiana, United States
    [email protected]
    Editorial Advisory Board
    Dr. Maamar Benkraouda
    Department of Physics, United Arab Emirates University, UAE
    [email protected]
    Dr. Rasheed Al Hammadi
    Department of Biology, United Arab Emirates University, UAE
    [email protected]
    Dr. Dimitrios P. Nikolelis
    Department of Chemistry, University of Athens, Greece
    [email protected]
    Dr. Fauziah Binti Shahul Hamid
    Institute of Biological Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. Karni S Moshal
    Department of Medicine, Alpert Medical School of Brown University, USA
    [email protected]
    Dr. Koh You Beng
    Institute of Mathematical Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. Lim Sok Li
    Institute of Mathematical Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. Ramesh Kasi
    Department of Physics, University of Malaya, Malaysia
    [email protected]
    Dr. Jasmine Elanie Binti Khairat
    Institute of Biological Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. Nur Airina Binti Muhamad
    Institute of Biological Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. Amizah Malip
    Department of Applied Mathematics, University of Malaya, Malaysia
    [email protected]
    Dr. Azzuliani Binti Supangat
    Department of Physics, University of Malaya, Malaysia
    [email protected]
    Prof. Mohamed Toutounji
    Professor, Department of Chemistry, United Arab Emirates University, UAE
    [email protected]
    Dr. Mohd Azmi Haron
    Institute of Mathematical Sciences, University of Malaya, Malaysia
    [email protected]
    Prof. Noordini Mohamad Salleh
    Department of Chemistry, University of Malaya, Malaysia
    [email protected]
    Dr. Ibrahim Bin Mohamed
    Institute of Mathematical Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. Halijah Ibrahim
    Institute of Biological Sciences, University of Malaya, Malaysia
    [email protected]
    Dr. S. Chandra Kishore
    Assistant Professor, University of Information Science and Technology,
    “St. Paul The Apostle”, Macedonia, Greece
    [email protected]
    Dr. Salah Nasri
    Department of Physics, United Arab Emirates University, UAE
    [email protected]
    Dr. Dharini Pathmanathan
    Institute of Mathematical Sciences, University of Malaya, Malaysia
    [email protected]

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