| Autor: |
Benchamekh, R., Raouafi, F., Even, J., Larbi, F. Ben Cheikh, Voisin, P., Jancu, J. -M. |
| Rok vydání: |
2013 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1103/PhysRevB.91.045118 |
| Popis: |
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of the tight-binding Hamiltonian. Bloch functions obtained for zinc-blende semiconductors in the extended-basis spds* tight-binding model demonstrate very good agreement with first-principles wavefunctions. We apply this method to the calculation of electron-hole exchange interaction, and obtain the dispersion of excitonic fine structure of bulk GaAs. Beyond semiconductor nanostructures, this work is a fundamental step toward modeling many-body effects from post-processing single particle wavefunctions within the tight-binding theory. |
| Databáze: |
arXiv |
| Externí odkaz: |
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