نتایج جستجو برای: tight binding

تعداد نتایج: 453770  

Journal: :Journal of Mathematical Physics 2022

The discrete Hamiltonian of Su, Schrieffer and Heeger (SSH) is a well-known one-dimensional translation-invariant model in condensed matter physics. consists two atoms per unit cell describes in-cell out-of-cell electron-hopping between sub-lattices. It among the simplest models exhibiting non-trivial topological phase; to SSH one can associate winding number, Zak phase, which depends on ratio ...

Journal: :Physical review. B, Condensed matter 1996
Tang Wang Chan Ho

We present a tight-binding model which goes beyond the traditional two-center approximation and allows the hopping parameters and the repulsive energy to be dependent on the binding environment. Using carbon as an example, we show that the approach improves remarkably the transferability of the tight-binding model. The properties of the higher-coordinated metallic structures are well described ...

2006
Nicola Manini Katalin Gaál-Nagy Eugenio Cinquanta

In this work we implement a tight-binding calculation of the energy bands of silicon. This traditional method is still employed as a useful approximation for the electronic motion in solids. The tight-binding wavefunctions are taken as linear combinations of atomic orbitals located at each atom in the crystal, based on phase factors e(ik·R) (R are the position of such atoms) for coefficients. T...

Journal: :Physical Chemistry Chemical Physics 2021

Amorphous diamond structures with more than 97% of sp3 bonding fraction are generated by quenching liquid carbon using tight-binding molecular-dynamics simulations. The electronic and vibrational properties the amorphous sample investigated.

Journal: :Journal of the Brazilian Chemical Society 2009

Journal: :Journal of Biological Chemistry 2004

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