open access publication

Article, 2016

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

Solid-State Electronics, ISSN 1879-2405, 0038-1101, Volume 115, Pages 92-102, 10.1016/j.sse.2015.09.005

Contributors

Zerveas, George 0000-0002-1227-5349 (Corresponding author) [1] Caruso, Enrico 0000-0002-6031-2976 [2] Baccarani, Giorgio 0000-0001-7365-5495 [3] Czornomaz, Lukas [4] Daix, Nicolas [4] Esseni, David 0000-0002-3468-5197 [2] Gnani, Elena 0000-0001-6949-5919 [3] Gnudi, Antonio 0000-0002-2186-3468 [3] Grassi, Roberto [3] Luisier, Mathieu Maurice 0000-0002-2212-7972 [1] Markussen, Troels 0000-0003-1192-4025 [5] Osgnach, Patrik [2] Palestri, Pierpaolo 0000-0002-1672-1166 [2] Schenk, Andreas 0000-0002-0260-7282 [1] Selmi, Selmi [2] Sousa, Marilyne [4] Stokbro, Kurt [5] Visciarelli, Michele 0000-0003-4362-983X [3]

Affiliations

  1. [1] ETH Zurich
    2. [NORA names: Switzerland; Europe, Non-EU; OECD];
  2. [2] University of Udine
    3. [NORA names: Italy; Europe, EU; OECD];
  3. [3] University of Bologna
    4. [NORA names: Italy; Europe, EU; OECD];
  4. [4] IBM Research - Zurich
    5. [NORA names: Switzerland; Europe, Non-EU; OECD];
  5. [5] QuantumWise A/S, Fruebjergvej 3, Box 4, DK-2100 Copenhagen, Denmark
    6. [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 3nm to 10nm 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.

Keywords

GaAs, III-V, III–V semiconductor quantum wells, InAs, InGaAs, K*p, MOSFET, assessment, ballistic transport model, band, band parameters, band structure, bandgap, bandgap dependence, calculation method, comparison, comprehensive comparison, density, density functional theory, dependence, device simulation, devices, drain, drain current, effective mass model, experimental validation, experiments, film thickness, films, functional theory, impact, mass model, method, model, nanoscale MOSFETs, parameters, quantum wells, quantum-well, results, semiconductor quantum wells, simulation, structure calculation methods, theory, thickness, tight binding, transport model, wells

Funders

  • Swiss National Science Foundation
  • European Commission

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