Microwave emulations and tight-binding calculations of transport in polyacetylene

Tight-binding couplings in microwave artificial graphene

Tight-binding Hamiltonian from first-principles calculations

The tight-binding method attempts to represent the electronic structure of condensed matter using a minimal atomic-orbital like basis set. To compute tight-binding overlap and Hamiltonian matrices directly from first-principles calculations is a subject of continuous interest. Usually, first-principles calculations are done using a large basis set or long-ranged basis set (e.g. muffin-tin orbit...

Tight-Binding based SiGe Band Structure Calculations and Implication on Transport

This work presents a comprehensive analysis of the SiGe band structure using a TightBinding based approach within the virtual crystal approximation. We analyze the material properties of bulk relaxed SiGe and biaxially compressed strained systems. The simulation approach has been benchmarked against experimental data wherever possible. We further investigate the effect of process induced uniaxi...

Practical application of zone-folding concepts in tight-binding calculations

Practical application of zone-folding concepts in tight-binding calculations" (2005). Birck and NCN Publications. Paper 204. Modern supercell algorithms, such as those used in treating arrays of quantum dots or alloy calculations, are often founded upon local basis representations. Such local basis representations are numerically efficient, allow considerations of systems consisting of millions...

Practical application of zne-folding concepts in tight-binding calculations