open access publication

Article, 2021

Electromechanical field effects in InAs/GaAs quantum dots based on continuum (k)over-right-arrow . (p)over-right-arrow and atomistic tight-binding methods

COMPUTATIONAL MATERIALS SCIENCE, ISSN 0927-0256, 0927-0256, Volume 197, 10.1016/j.commatsci.2021.110678

Contributors

Barettin, Daniele 0000-0002-2849-1898 (Corresponding author) [1] Pecchia, Alessandro 0000-0001-8093-8610 [2] [3] Maur, Matthias Auf Der 0000-0002-4815-4485 [4] Di Carlo, Aldo 0000-0001-6828-2380 [4] Lassen, Benny [5] Willatzen, Morten [6] [7] [8]

Affiliations

  1. [1] Univ Niccolo Cusano Telemat, UNICUSANO, Rome, Italy
  2. [NORA names: Italy; Europe, EU; OECD];
  3. [2] CNR ISMN, Via Salaria Km 29-300, I-00017 Rome, Italy
  4. [NORA names: Italy; Europe, EU; OECD];
  5. [3] CNR ISMN, Via Salaria Km 29-300, I-00017 Rome, Italy
  6. [NORA names: Italy; Europe, EU; OECD];
  7. [4] Univ Roma Tor Vergata, Dept Elect Engn, Rome, Italy
  8. [NORA names: Italy; Europe, EU; OECD];
  9. [5] Univ Southern Denmark, Mads Clausen Inst Prod Innovat, Als 2, Sonderborg, Denmark
  10. [NORA names: SDU University of Southern Denmark; University; Denmark; Europe, EU; Nordic; OECD];

Abstract

A comparison between (k) over right arrow . (p) over right arrow and tight-binding methods for the analysis of InAs/GaAs quantum dot bandstructures is presented based on a fully coupled computation of electromechanical effects. Electromechanical effects are addressed using a continuum elastic model for the (k) over right arrow . (p) over right arrow method and a pre-conditioned Valence Force Field algorithm for the tight-binding atomistic calculations. The Valence Force Field method allows the direct identification of the impact of internal strain. Results to ensure model parameter consistency between the two methods are also given by comparing bulk and unstrained quantum-well dispersion relations.

Keywords

(k)over-right-arrow . (p)over-right-arrow model, Atomistic methods, Quantum dot bandstructures

Data Provider: Clarivate