Tight-Binding Electronic Transport Application.ipynb

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   "source": [
    "# Tight-Binding Electronic Transport Application for graphene nanoribbon junctions"
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       "Accordion(children=(HTML(value=\"<b>TBETA</b> provides a simple graphical interface for building structures of …"
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    "accordion = widgets.Accordion(children=[widgets.HTML(value=\"<b>TBETA</b> provides a simple graphical interface for building structures of two-terminal junctions of graphene nanoribbons (GNRs) at angles 60°, 120° and 180°. The electronic structure and transport properties of the constructed junctions are calculated using the 1st, 2nd or 3rd nearest-neighbour tight-binding model in combination with the Landauer-Büttiker formalism and Green's function techniques. <br /> <br /> Version 1.1.0, 07.05.2021\"),\n",
    "                                        widgets.HTML(value=\"<b>To design the junction structure:</b> <br /> 1)Select the desired junction angle, width of GNR leads and four additional parameters called distance, shift, quantum dot width and chirality. <br /> 2)Atoms can be removed from the initial scattering region by entering the corresponding atom number(s) and then pressing the <i>'Remove atoms'</i> button <br /> 3)Initial structure template with no atoms removed can be reset by pressing <i>'Reset system'</i> <br /> <b>The electronic structure and transport properties are calculated:</b> <br />1)Conductance and density of states (DOS) are calculated in a selected energy range by adjusting the <i>'min'</i> and <i>'max'</i> energy values and pressing the <i>Calculate</i> button<br />2)Local density of states, local current map and wavefunctions in the lead channels are displayed for a selected single energy value defined in terms of the tight-binding hopping integral <i>t</i>\") ,\n",
    "                                        widgets.HTML(value=\"The numerical calculations are performed using the Kwant code: C. W. Groth, M. Wimmer, A. R. Akhmerov, X. Waintal, Kwant: a software package for quantum transport, New J. Phys. 16, 063065 (2014). <br /> The authors are financially supported by the Swiss National Science Foundation (Grant No. 172534) and the NCCR MARVEL.\"),\n",
    "                                        widgets.HTML(value=\"Kristians Cernevics, Antoine Aragon, Valeria Granata, Oleg V. Yazyev, Tight-Binding Electronic Transport Application (TBETA) for graphene nanoribbon junctions, Materials Cloud Archive 2020.66 (2020) <br /> DOI: 10.24435/materialscloud:av-24\")])\n",
    "accordion.set_title(0, 'About')\n",
    "accordion.set_title(1, 'Instructions')\n",
    "accordion.set_title(2, 'Acknowledgments')\n",
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    "[Start the application](TBETA.ipynb)"
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