open access publication

Article, Proceedings Paper, 2016

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

SOLID-STATE ELECTRONICS, ISSN 0038-1101, 0038-1101, Volume 115, Pages 92-102, 10.1016/j.sse.2015.09.005

Contributors

Zerveas, G. 0000-0002-1227-5349 (Corresponding author) [1] [2] Caruso, Enrico 0000-0002-6031-2976 [3] Baccarani, G. 0000-0001-7365-5495 [4] Czornomaz, L. [5] Daix, N. [5] Esseni, David 0000-0002-3468-5197 [3] Gnani, Elena 0000-0001-6949-5919 [4] Gnudi, Antonio 0000-0002-2186-3468 [4] Grassi, Roberto [4] Luisier, Mathieu 0000-0002-2212-7972 [1] [2] Markussen, Troels 0000-0003-1192-4025 [6] Osgnach, Patrik [3] Palestri, Pierpaolo 0000-0002-1672-1166 [3] Schenk, Andreas 0000-0002-0260-7282 [1] [2] Selmi, L. [3] Sousa, Marilyne [5] Stokbro, K. [6] Visciarelli, M. 0000-0003-4362-983X [4]

Affiliations

  1. [1] ETH, Integrated Syst Lab, CH-8092 Zurich, Switzerland
    2. [NORA names: Switzerland; Europe, Non-EU; OECD];
  2. [2] ETH, Integrated Syst Lab, CH-8092 Zurich, Switzerland
    3. [NORA names: Switzerland; Europe, Non-EU; OECD];
  3. [3] Univ Udine, DIEGM, I-33100 Udine, Italy
    4. [NORA names: Italy; Europe, EU; OECD];
  4. [4] Univ Bologna, DEIS ARCES, I-40136 Bologna, Italy
    5. [NORA names: Italy; Europe, EU; OECD];
  5. [5] IBM Zurich Res Lab, CH-8803 Ruschlikon, Switzerland
    6. [NORA names: Switzerland; Europe, Non-EU; 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 Gamma, 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. (C) 2015 The Authors. Published by Elsevier Ltd.

Keywords

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

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