EmpiricalTightBinding.jl
Empirical tight-binding band structure calculations for zinc-blende semiconductors.
Features
- Multiple tight-binding models: SP3, SP3S*, SP3S*+SO, SP3D5S*
- Multiple parameter sources: Vogl 1983, Jancu 1998, Klimeck 2000
- Flexible k-path construction for FCC Brillouin zone
- Plot recipes for Plots.jl integration
Quick Start
using EmpiricalTightBinding
using Plots
# Get parameters
p = get_params(SP3Sstar, Vogl1983(), "GaAs")
# Build k-path
kp = vogl_kpath()
# Compute and plot band structure
bands = compute_bands(SP3Sstar(), kp, p)Installation
using Pkg
Pkg.add("EmpiricalTightBinding")Design Concept: Model × Source × Material
EmpiricalTightBinding.jl is organized around three orthogonal axes:
| Axis | Examples |
|---|---|
| Model (basis set) | SP3, SP3Sstar, SP3Sstar_SO, SP3D5Sstar |
| Source (parameter set) | Vogl1983, Jancu1998, Klimeck2000 |
| Material | "GaAs", "Si", "InP", ... |
Parameters are retrieved by specifying all three:
p = get_params(SP3Sstar, Vogl1983(), "GaAs")