The goal of this paper is to relate the capacitance matrix formalism tight-binding approximation. By doing so, we open way use mathematical techniques and tools from condensed matter theory in numerical analysis metamaterials, particular for understanding their topological properties. We first study how formalism, both when material parameters are static modulated, can be posed a Hamiltonian fo...

This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-binding formalism, and give practical recipes for parametrization: how to calculate pseudo-atomic orbitals and matrix elements, and especially how to systematically fit the short-range repulsions. Our scope is neither to...

Due to the high cost of experimental analyses, researchers used atomistic modeling methods for predicting the mechanical behavior of the materials in the fields of nanotechnology. In the pre-sent study the Self-Consistent Charge Density Functional Tight-Binding (SCC-DFTB) was used to calculate Young's moduli and average potential energy of the straight and curved graphenes with different curvat...