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Published byAnnabelle Amelia Park Modified over 9 years ago
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Roberto Fuentes Badilla University of Arizona Acknowledgements: Dr. Sumit Mazumdar Dr. Zhendong Wang U.S. N.S.F.
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Introduction to SWCNT Semiconductor vs. metallic conductor Exciton PPP Model Semiconductor exciton Metallic exciton Conclusions
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Metallic -if (n-m) is a multiple of 3 -all armchair Semiconducting -all other combinations of (n,m)
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Classification of band structure a) Insulator b) Semiconductor c) Metal (partially filled band) Semiconductor
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Bound state of electron-hole pair
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Incident light parallel to tube Incident light perpendicular to tube Polarization of carbon nanotube optical excitations
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Take into account only π-electrons The Pariser-Parr-Pople (PPP) model Hamiltonian Atomic units π-electrons
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Rewrite using second quantization Creates a π-electron with spin σ on the i th carbon atom Number of π-electrons with spin σ on atom i Total number of π-electrons on the atom One-electron hopping integrals Repulsion between two π -electrons Occupying same atom Intersite Coulomb interactions
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Coulomb InteractionU=8.0 eV Dielectric Screening Hopping IntegraleV Semi-empirical parameters
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Black dashed curves – experiment; blue curves - PPP model, t1 = 2.0 eV Zhendong Wang,Hongbo Zhao & Sumit Mazumdar PRB 115431 (2007) Prediction vs. Experiment
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No excitons in conventional metals because no optical gap/excitation Multiple pairs of valence and conduction bands nonzero band gap in M-SWCNTs except between the lowest pair Trigonal warping effect E k E 11 E 22 E k Nonarmchair Armchair
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Overall shift in energy Excitonic energy Change the dielectric constant
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Prediction Diamter size ~1nm
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Parameterization of the π-electron Hamiltonian Parallel and Transverse excitons in semiconducting carbon nanotube Change in dielectric constant in metallic carbon nanotube No transverse exciton predicted for metallic carbon nanotube
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