TBStudio is a technical software package to construct Tight-Binding model for nano-scale materials. It is a powerful and easy to use software package to construct Tight-Binding (TB) model for nano-scale materials. Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations (such as OpenMX or Vasp packages), one can construct a TB model in the two-center approximation. Using Slater and Koster approach we calculate the TB Hamiltonian of the system and use a nonlinear fitting algorithm to find the best entries for both Hamiltonian and overlap matrices to reproduce the first-principles data. We obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals (s, p and d orbitals with or without spin-orbit coupling) for the different atoms and present the SK coefficients in an orthogonal or nonorthogonal basis set. Furthermore, by using TBStudio one can generate code in a preferred programming language such as C++, C, Fortran, Mathematica, Matlab, and Python.

TBStudio is a cross-platform application with a graphical user interface design that is user-friendly and easy to work with. This application has been written in c++ powered by LAPACK library and its GUI has been constructed by wxWidgets. OpenGL library was used for visualization and constructing the structures.

Getting Started

  1. TBStudio is provided you as a pre-compiled released. So there is no need to compile TBStudio. In windows it is a portable version and there is no need to install it. So just extract it anywhere you want. In Linux you need to install it using the following command
  2. In Ubuntu sudo dpkg -i tbstudio-{version}-amd64.deb
  3. In Fedora sudo rpm -i tbstudio-{version}.fc30.x86_64.rpm
  4. In MacOS download TBStudio-{version}-64bit.app.tar.gz and double click on it to extract TBStudio app. After that drag and drop it into Applications folder located in the left toolbar.
  5. Launch TBStudio
  6. Assumed you already downloaded the examples
  7. Go to Graphene folder and open the file model.tbm …
  8. Press the Start button from Main-Ribbon > Analyze > Fitting. The SK parameters Tab will be shown. In terminal one can monitor the regression analysis.
  9. Now the time for magic! What program language have you written your own Green’s Function calculation? Which language do you prefer to start your code? C++, C, Fortran, Mathematica, Matlab, and Python? It does not matter. We generate for you the Hamiltonian in your preferred programming language. Go to Main-Ribbon > Wizard > Code Generator and generate your own code as C++, C, Fortran, Mathematica, Matlab, and Python.
  10. Hope you enjoy TBStudio …

New in Version 1.5.0

  1. The tight-binding model can be exported in format of PyBinding package
  2. Sheet table added to arrange on-site and SK parameters
  3. SK Table can be exported as a text file
  4. Band-structure can be exported in TEX format
  5. CIF input has been removed as there is no any record for the reference direction in CIF format and so it is not reliable.

New in Version 1.4.0

  1. Save Band-structure as an image in EPS, PNG, JPEG, TGA
  2. Save Structure image as BMP, PNG or JPEG formats
  3. Bug fixed for Band-structure visualization in a virtual machine
  4. Bug fixed for mouse wheel zooming in windows 7

New in Version 1.3.0

  1. Spin-Orbit Coupling (SOC) was added to the calculation
  2. Code generator supports also SOC, non-orthogonal TB-Model or a system including both of them.
  3. We added many examples with their references.

New in Version 1.2.0

  1. In this version, one can also load both Unit-cell and Band structure from Vasp XML.
  2. CIF output was added.
  3. Weight function was added in the setup panel. One can paint on band structure to increase or decrease the weight function for input data.
  4. Code generator supports now non-orthogonal TB-Model.

New in Version 1.1.0

  1. Code Generator Tool for generating the code for the final band-structure.