Comprehensive comparison and experimental validation of band-structure calculation methods in III-V semiconductor quantum wells

George Zerveas, Enrico Caruso, Giorgio Baccarani, Lukas Czornomaz, Nicolas Daix, David Esseni, Elena Gnani, Antonio Gnudi, Roberto Grassi, Mathieu Luisier, Troels Markussen, Patrik Osgnach, Pierpaolo Palestri, Andreas Schenk, Luca Selmi, Marilyne Sousa, Kurt Stokbro, Michele Visciarelli

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

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 In0.53Ga0.47As 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.

Original languageEnglish (US)
Pages (from-to)92-102
Number of pages11
JournalSolid-State Electronics
Volume115
DOIs
StatePublished - Jan 1 2016

Bibliographical note

Funding Information:
The research leading to these results has received funding from the European Commission’s Seventh Framework Programme (FP7/2007–2013) under Grant Agreement III–V-MOS Project No. 619326 via the IUNET Consortium. We would like to acknowledge the reviewers of the EU project III–V-MOS for suggesting us to compare the different models in terms of calculation times.

Publisher Copyright:
© 2015 The Authors.

Keywords

  • Band-structure
  • DFT
  • III-V semiconductors
  • Non-parabolic effective mass models
  • Tight-binding
  • Ultra-Thin Body MOSFET
  • k · p

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