.. _background:

Background
==========

Methodology
-----------

TBPLaS is build on the tight-binding theory. So you need to a have a general idea of it in order
to understand the concepts of TBPLaS. A brief note on the formulation is avaiable at
`this link <attachments/tbnote.pdf>`_. More detailed depiction of the tight-binding theory can be
found in textbooks of solid state physics.

If you want to know more about methodology behind TBPLaS, especially the large-scale tight-binding
propagation method (TBPM), you may have a look at the following papers:

1. `Modeling electronic structure and transport properties of graphene with resonant scattering centers <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.82.115448>`_
    S. Yuan, H. De Raedt, and M. I. Katsnelson, Phys. Rev. B. 82, 115448 (2010)
2. `Excitation spectrum and high-energy plasmons in single-layer and multilayer graphene <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.84.035439>`_
    S. Yuan, R. Roldán, and M. I. Katsnelson, Phys. Rev. B 84, 035439 (2011)
3. `Modeling Klein tunneling and caustics of electron waves in graphene <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.045420>`_
    R. Logemann, K. J. A. Reijnders, T. Tudorovskiy, M. I. Katsnelson, S. Yuan, Phys. Rev. B 91, 045420 (2015)
4. `TBPLaS: a Tight-Binding Package for Large-scale Simulation <https://www.sciencedirect.com/science/article/abs/pii/S0010465522003514>`_
    Y. Li, Z. Zhan, X. Kuang, Y. Li and S. Yuan, Comput. Phys. Commun. 285, 108632 (2023)

Implementation
--------------
An overview on the concepts of TBPLaS, as well as the common workflow, is given in the CPC paper
in ref. 4. It will provide the users and developers a general picture of the design philosophy of
TBPLaS.