SP3 Model
Basis
8-band model with s and three p orbitals on each atom:
| Index | Anion | Cation |
|---|---|---|
| 1, 5 | $s$ | $s$ |
| 2, 6 | $p_x$ | $p_x$ |
| 3, 7 | $p_y$ | $p_y$ |
| 4, 8 | $p_z$ | $p_z$ |
Parameters
The SP3 model uses SP3Params with 12 parameters:
- On-site energies: Es, Ep for each atom
- Hopping integrals: Vss, Vxx, Vxy, Vsapc, Vscpa
SP3 parameters can be extracted from SP3S* parameters via sp3_params.
Available Parameter Sources
| Source | Materials |
|---|---|
Vogl1983 | Si, Ge, C, Sn, SiC, GaAs, GaP, GaSb, AlAs, AlP, AlSb, InAs, InP, InSb, ZnSe, ZnTe |
Klimeck2000 | GaAs, GaP, GaSb, AlAs, AlP, AlSb, InAs, InP, InSb |
Limitations
The sp3 basis cannot reproduce indirect conduction band minima correctly. For quantitative work, use SP3Sstar or higher models.