✦ LIBER ✦
Exact one-band model calculation using the tight-binding method
✍ Scribed by D. A. Mirabella; C. M. Aldao; R. R. Deza
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 178 KB
- Volume
- 68
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
A one-dimensional one-band model is presented which enables a tightbinding calculation to be performed with full rigor. All the multicenter integrals involved in the calculation of the Hamiltonian matrix elements can be analytically computed in terms of a single parameter: the ratio between the lattice spacing and the extension of the ''atomic'' wave function. Moreover, the exact expression for the spectrum shows how the usual approximations of limiting the range of interactions and neglecting the nonorthogonality of the basis set degrade the results of the calculations.