Article,
Comprehensive comparison and experimental validation of band-structure calculation methods in III-V semiconductor quantum wells
Affiliations
- [1] ETH Zurich [NORA names: Switzerland; Europe, Non-EU; OECD];
- [2] Università di Udine [NORA names: Italy; Europe, EU; OECD];
- [3] Università di Bologna [NORA names: Italy; Europe, EU; OECD];
- [4] IBM Research [NORA names: Switzerland; Europe, Non-EU; OECD];
- [5] QuantumWise A/S [NORA names: Other Companies; Private Research; Denmark; Europe, EU; Nordic; OECD]
Abstract
We present and thoroughly compare band-structures computed with density functional theory, tight-binding, k·p and non-parabolic effective mass models. Parameter sets for the non-parabolic Γ, the L and X valleys and intervalley bandgaps are extracted for bulk InAs, GaAs and InGaAs. We then consider quantum-wells with thickness ranging from 3 nm to 10 nm and the bandgap dependence on film thickness is compared with experiments for As quantum-wells. The impact of the band-structure on the drain current of nanoscale MOSFETs is simulated with ballistic transport models, the results provide a rigorous assessment of III-V semiconductor band structure calculation methods and calibrated band parameters for device simulations.
Keywords
Band-structure,
DFT,
III-V semiconductors,
Non-parabolic effective mass models,
Tight-binding,
Ultra-Thin Body MOSFET,
k · p