Electronic and transport properties of zigzag carbon nanotubes with the presence of periodical antidot and boron/nitride doping defects

Electronic and transport properties of Carbon nanotubes (CNTs) are affected by the presence of physical or chemical defects in their structures. In this paper, we present novel platforms of defected zigzag CNTs (Z-CNTs) in which two topologies of antidot and Boron/Nitride (BN) doping defects are periodically imposed throughout the length of perfect tubes. Using the tight binding model and the non-equilibrium Green’s function method, it is realized that the quantum confinement of Z-CNTs is modified by the presence of such defects. This new quantum confinement results in the appearance of mini bands and mini gaps in the transmission spectra, as well as a modified band structure and band gap size. The modified band gap could be either larger or smaller than the intrinsic band gap of a perfect tube, which is determined by the category of Z-CNT. The in-depth analysis shows that the size of the modified band gap is the function of several factors consisting of: the radii of tube (Dr), the distance between adjacent defects (dd), the utilized defect topology, and the kind of defect (antidot or BN doping). Furthermore, taking advantage of the tunable band gap size of Z-CNT with the presence of periodical defects, new platforms of defect-based Z-CNT resonant tunneling diode (RTD) are proposed for the first time. Our calculations demonstrate the apparition of resonances in transmission spectra and the negative differential resistance in the I-V characteristics for such RTD platforms.

[1]  A. Y. Goharrizi,et al.  Strain-Induced Armchair Graphene Nanoribbon Resonant-Tunneling Diodes , 2017, IEEE Transactions on Electron Devices.

[2]  A. Yazdanpanah Goharrizi,et al.  The electronic properties of armchair graphene nanoribbons defected by hexagonal antidotes and Boron/Nitride atoms , 2017, 2017 Iranian Conference on Electrical Engineering (ICEE).

[3]  S. Aravind,et al.  Simulation of carbon nanotube field effect transistors using NEGF , 2016 .

[4]  Milad Zoghi,et al.  Armchair Graphene Nanoribbon Resonant Tunneling Diodes Using Antidote and BN Doping , 2016, IEEE Transactions on Electron Devices.

[5]  Kenji Watanabe,et al.  Nanoscale Control of Rewriteable Doping Patterns in Pristine Graphene/Boron Nitride Heterostructures. , 2016, Nano letters.

[6]  Milad Zoghi,et al.  Band Gap Tuning of Armchair Graphene Nanoribbons by Using Antidotes , 2016, Journal of Electronic Materials.

[7]  E. Meyer,et al.  Atomically controlled substitutional boron-doping of graphene nanoribbons , 2015, Nature Communications.

[8]  Chongwu Zhou,et al.  Review of carbon nanotube nanoelectronics and macroelectronics , 2014 .

[9]  Zhenhua Zhang,et al.  Electronic properties of graphene nanoribbons with periodically hexagonal nanoholes , 2013 .

[10]  Ali Javey,et al.  Carbon nanotube electronics--moving forward. , 2013, Chemical Society reviews.

[11]  R. Baughman,et al.  Carbon Nanotubes: Present and Future Commercial Applications , 2013, Science.

[12]  W. Andreoni.  The Physics of Fullerene-Based and Fullerene-Related Materials , 2012 .

[13]  Zhongfan Liu,et al.  BN-Embedded Graphene with a Ubiquitous Gap Opening , 2012 .

[14]  M. Puska,et al.  Local semiconducting transition in armchair carbon nanotubes: The effect of periodic bi-site perturbation on electronic and transport properties of carbon nanotubes , 2011, 1101.0519.

[15]  M. Dresselhaus,et al.  Defect characterization in graphene and carbon nanotubes using Raman spectroscopy , 2010, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[16]  Youcheng Li,et al.  Band structures and transport properties of zigzag graphene nanoribbons with antidot arrays , 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

[17]  Angel Rubio,et al.  The doping of carbon nanotubes with nitrogen and their potential applications , 2010 .

[18]  P. Orellana,et al.  Transport properties of antidot superlattices of graphene nanoribbons , 2009 .

[19]  F. Banhart,et al.  Creation of individual vacancies in carbon nanotubes by using an electron beam of 1 A diameter. , 2009, Nano letters.

[20]  G. B. Abadir,et al.  Basis-set choice for DFT/NEGF simulations of carbon nanotubes , 2009 .

[21]  K. Thygesen,et al.  Conductance of sidewall-functionalized carbon nanotubes: universal dependence on adsorption sites. , 2008, Physical review letters.

[22]  A. Fazzio,et al.  Divacancies in graphene and carbon nanotubes. , 2007, Nano letters.

[23]  M. Dresselhaus,et al.  Chirality dependence of exciton effects in single-wall carbon nanotubes: Tight-binding model , 2007 .

[24]  Gerhard Klimeck,et al.  Non-equilibrium Green’s function (NEGF) simulation of metallic carbon nanotubes including vacancy defects , 2007 .

[25]  A. Krasheninnikov,et al.  Energetics, structure, and long-range interaction of vacancy-type defects in carbon nanotubes: Atomistic simulations , 2006 .

[26]  Traian Dumitrica,et al.  Symmetry-, time-, and temperature-dependent strength of carbon nanotubes. , 2006, Proceedings of the National Academy of Sciences of the United States of America.

[27]  Ted Belytschko,et al.  Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations , 2005 .

[28]  K. Kaski,et al.  Mechanical properties of carbon nanotubes with vacancies and related defects , 2004 .

[29]  T. Belytschko,et al.  The role of vacancy defects and holes in the fracture of carbon nanotubes , 2004 .

[30]  R. Nieminen,et al.  Magnetic properties of vacancies in graphene and single-walled carbon nanotubes , 2004 .

[31]  S. R. Schofield,et al.  Atomically precise placement of single dopants in si. , 2003, Physical review letters.

[32]  J. Maultzsch,et al.  Tight-binding description of graphene , 2002 .

[33]  J. Charlier,et al.  Defects in carbon nanotubes. , 2002, Accounts of chemical research.

[34]  Cohen,et al.  Defects, quasibound states, and quantum conductance in metallic carbon nanotubes , 2000, Physical review letters.

[35]  Philip Kim,et al.  Structure and Electronic Properties of Carbon Nanotubes , 2000 .

[36]  Kong,et al.  Nanotube molecular wires as chemical sensors , 2000, Science.

[37]  J. Fattebert,et al.  Mechanical properties, defects and electronic behavior of carbon nanotubes , 2000 .

[38]  M. Sancho,et al.  Quick iterative scheme for the calculation of transfer matrices: application to Mo (100) , 1984 .