Modeling graphene layers and single-walled carbon nanotubes with regularized $\delta $-function potentials

ORAL

Abstract

Using \textit{ab initio} methods to study the interaction between strong electromagnetic fields and thin films or crystalline materials would be extremely difficult. A common way is to use simplified models with several fitting parameters to simulate real physical systems. In this paper, we propose a model to simulate the $\pi $ electrons in a graphene layer and single-walled carbon nanotubes. We let the atomic potential of each carbon atom be replaced by a two-dimensional attractive regularized $\delta $ function and construct a honeycomb lattice of regularized $\delta $ function to reproduce the band structure of a graphen layer and nanotubes. We also use this model to calculate the electron wave functions of nanotubes with finite length. The results are in good agreement with first principle calculations. With the accuracy and simplicity provided by this model, it can be a good candidate to study the interaction between the $\pi $ electrons of nanotubes and electromagnetic fields in nonperturbative regime.

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Authors

  • Han Hsu

  • Nilanjan Das

    Dept. of Physics, ESFM-IPN, Mexico City, Dept. of Physics, The University of Texas at El Paso, Texas A\&M University, Southeast Missouri State University, Departamento de Fisica, FCEN, Universidad de Buenos Aires, Nunez, Argentina, Cyclotron Institute, Texas A\&M University, University of Houston, Denison U., Advanced Space Propulsion Laboratory, AdAstra Rocket Company, Texas Tech University, Department of Chemistry and Biochemistry, Texas State Unv. - San Marcos, Department of Physics, Texas State Unv. - San Marcos, Rice U., Texas State University - San Marcos, Freescale Semiconductor, Inc., Varian Semiconductor Equipment Associates, Gloucester, MA, University of North Texas, Denton, TX, National Insitute of Standards \& Technology, Gaithersburg, MD, James Madison University, Harrisonburg, VA, Texas A\&M University, College Station, TX, Hong Kong University of Science and Technology; Texas Center for Superconductivity and Advanced Materials, University of Houston, Texas Center for Superconductivity at the University of Houston, University of Houston, University of Idaho, Department of Physics, Istanbul Technical University, University of California at Davis, Physics Department, University of South Florida, FL 33620, Physics Department, Texas A\&M University, TX 77843, Center for Studies in Statistical Mechanics and Complex Systems, The University of Texas at Austin, Rice University, TcSUH, University of Houston, Lawrence Berkeley National Laboratory, Hong Kong University of Science and Technology, Institute of Solid State Physics, Bulgarian Academy of Sciences, Hong Kong University of Science and Technology; Texas Center for Superconductivity, University of Houston; Lawrence Berkeley National Laboratory, Texas Center for Superconductivity, University of Houston