Abstract
Semi-empirical tight-binding techniques have been extensively used during the last six decades to study local and extended defects as well as aperiodic systems. In this work we propose a tight-binding model capable of describing optical properties of disordered porous materials in a novel way. Besides discussing the details of this approach, we apply it to study porous silicon (p-Si). For this purpose, we use an sp3s* basis set and supercells, where empty columns are dug in the [001] direction in crystalline silicon (c-Si). The disorder of the pores is considered through a random perturbative potential, which relaxes the wave vector selection rule, resulting in a significant enlargement of the optically active k-zone. The dielectric function and the light absorption spectra are calculated. The results are compared with experimental data showing a good agreement.
Original language | English |
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Pages (from-to) | 365-370 |
Number of pages | 6 |
Journal | Materials Research Society Symposium - Proceedings |
Volume | 491 |
State | Published - 1998 |
Externally published | Yes |
Event | Proceedings of the 1997 MRS Fall Symposium - Boston, MA, USA Duration: 1 Dec 1997 → 3 Dec 1997 |