Pybinding is a scientific Python package for numerical tight-binding calculations in solid state physics. If you're just browsing, the :doc:`tutorial/index` 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:
.. plot::
:alt: Asymmetrically strained bilayer graphene quantum dot
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 :func:`graphene.bilayer() <.graphene.lattice.bilayer>` lattice and the :func:`.regular_polygon` 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 :doc:`tutorial/index` 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.
.. toctree::
:hidden:
:maxdepth: 2
intro
.. toctree::
:hidden:
:titlesonly:
benchmarks/index
changelog
.. toctree::
:caption: User guide
:maxdepth: 2
install/index
tutorial/index
advanced/index
plotting/index
examples/index
.. toctree::
:caption: Reference docs
:maxdepth: 2
materials/index
api
experimental/index
@media screen and (min-width: 990px) {
.rst-content div.highlight-python {
float: left;
width: 54%;
}
.rst-content div.figure {
padding-top: 16px;
margin-left: 55%;
}
.rst-content p { clear: both; }
.pblogo {
margin: 0px 10px 8px 0px;
float: left;
}
.pbheader p {
margin-left: 220px;
padding-top: 9%;
clear: none;
}
}
.pblogo { width: 220px; }