jtsun / quantum-honeycomp

Package to perform tight binding calculation in graphene systems, with a friendly user interface

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QUANTUM HONEYCOMP

Aim

This program allows to perform tight binding calculations with a user friendly interface

How to install

The program has been developed to run in Linux machines. Execute the script "install" to compile all the necesary libraries, which will also add to your PATH the folder ../bin, where the script quantum-honeycomp is present.

This program uses several python libraries. For Debian/Ubuntu machines, a script called "autoinstall" will install all the necessary libraries. This program partially runs on Mac OSX, the user interface shows which modes can be executed in a mac machine.

For using this program in Windows, the easiest solution is to create a virtual machine using Virtual Box, installing a version of ubuntu in that virtual machine, and following the previous instructions.

Capabilities

  • Tight binding models in different lattices (triangular, square, honeycomb, Kagome, Lieb, diamond, pyrochlore)
  • Tunable parameters in the Hamiltonian (Fermi energy, magnetic order, sublattice imbalance, magnetic field, Rashba spin-orbit coupling, intrinsic spin-orbit coupling, Haldane coupling, anti-Haldane coupling, s-wave superconductivity)
  • Different results are automatically plotted from the interface
  • Band structure of 0d,1d,2d systems
  • Density of states of 0d,1d,2d systems
  • Selfconsistent mean field Hubbard calculations of 0d,1d,2d systems
  • Berry curvature, Chern number and Z2 invariant in 2d systems
  • Special module to deal with systems with 100000 atoms using the Kernel polynomial method
  • Special modeules to 1d and 2d study interfaces between different systems

About

Package to perform tight binding calculation in graphene systems, with a friendly user interface


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Language:Python 95.3%Language:Fortran 4.5%Language:Shell 0.2%