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arXiv · 1910.02917

Tight-Binding Studio: A Technical Software Package to Find the Parameters of Tight-Binding Hamiltonian

M. Nakhaee·S. A. Ketabi·F. M. Peeters
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Abstract

We present the Tight-Binding Studio (TBStudio) software package for calculating tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations or Semi-empirical band structure theory. This will be helpful for scientists who are interested in studying the electronic properties of structures using Green's function theory in tight-binding approximation. TBStudio is a cross-platform application written in C++ with a graphical user interface design that is user-friendly and easy to work with. This software is powered by Linear Algebra Package C interface library for solving the eigenvalue problems and the standard high-performance OpenGL graphic library for real-time plotting. TBStudio and its examples together with the tutorials are available for download from tight-binding.com.

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BibTeXRIS

M. Nakhaee, S. A. Ketabi, F. M. Peeters. 2019-10-07. Tight-Binding Studio: A Technical Software Package to Find the Parameters of Tight-Binding Hamiltonian. https://doi.org/10.1016/j.cpc.2020.107379

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