Pybinding is a scientific Python package for numerical tight-binding calculations in solid state physics. If you’re just browsing, the Tutorial section is a good place to start. It gives a good overview of the most important features with lots of code examples.
As a very quick example, the following code creates a triangular quantum dot of bilayer graphene and then applies a custom asymmetric strain function:
import pybinding as pb from pybinding.repository import graphene def asymmetric_strain(c): @pb.site_position_modifier def displacement(x, y, z): ux = -c/2 * x**2 + c/3 * x + 0.1 uy = -c*2 * x**2 + c/4 * x return x + ux, y + uy, z return displacement model = pb.Model( graphene.bilayer(), pb.regular_polygon(num_sides=3, radius=1.1), asymmetric_strain(c=0.42) ) model.plot()
Within the pybinding framework, tight-binding models are assembled from logical parts which
can be mixed and matched in various ways. The package comes with a few predefined components:
crystal lattices, shapes, symmetries, defects, fields and more (like the
graphene.bilayer() lattice and the
shape shown above). Users can also define new components (just like the asymmetric strain above).
This modular approach enables the construction of arbitrary tight-binding models with clear,
easy-to-use code. Various solvers, computation routines and visualization tools are also part
of the package. See the Tutorial for a walkthrough of the features.
The source code repository is located on Github where you can also post any questions, comments or issues that you might have.
- Additional Topics
- Plotting Guide
- Random Examples