Energy Band Structure of Lithium by the Tight-Binding Method

Tight- binding study of electronic band structure of anisotropic honeycomb lattice

 The two-dimensional structure of graphene, consisting of an isotropic hexagonal lattice of carbon atoms, shows fascinating electronic properties, such as a gapless energy band and Dirac fermion behavior of electrons at fermi surface. Anisotropy can be induced in this structure by electrochemical pressure. In this article, by using tight-binding method, we review anisotropy effects in the elect...

Calculation for Energy of (111) Surfaces of Palladium in Tight Binding Model

In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...

Applications of a New Tight-Binding Total Energy Method

A new tight - binding total energy method for transition

A new general tight-binding total energy (TBTE) method is presented that accurately predicts energy diierences caused by small perturbations such as those occurring in the evaluation of elastic constants and phonon spectra as well as energy diierences from large changes in structure such as structural energy diierences, equations of state, and defect energies. Unlike other quantitative TBTE mod...

Electronic Band Structure Modeling in Strained Si-Nanowires: Two Band k ·p Versus Tight Binding

The subband structure of silicon nanowires has gained much interest recently. Nanowires with diameters below 10 nm are predicted to have a significantly altered subband structure compared with bulk silicon. The effective mass approximation fails to describe these alterings correctly, and so far the semiempirical tight binding method and first principles calculations were used to investigate the...