2020
DOI: 10.1103/physrevb.101.075307
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Atomistic theory of electronic and optical properties of InAsP/InP nanowire quantum dots

Abstract: We present here an atomistic theory of the electronic and optical properties of hexagonal InAsP quantum dots in InP nanowires in the wurtzite phase. These self-assembled quantum dots are unique in that their heights, shapes, and diameters are well known. Using a combined valenceforce-field, tight-binding, and configuration-interaction approach we perform atomistic calculations of single-particle states and excitonic, biexcitonic and trion complexes as well as emission spectra as a function of the quantum dot h… Show more

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Cited by 34 publications
(33 citation statements)
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“…Finally, the excitonic spectra are calculated with the configuration interaction method 2,[104][105][106][107][108] . Configuration interaction calculations are performed in a computationally challenging basis 63 involving 20 (with spin) lowestenergy electron and hole states (up to the f shell of a single cylindrical quantum dot) and leading to the total 400 excitonic configuration, wheres the largest computational cost is related to calculation of 160,000 electron-hole Coulomb integrals 105,106 over a computational box containing over 1.3 × 10 6 atoms.…”
Section: Methodsmentioning
confidence: 99%
“…Finally, the excitonic spectra are calculated with the configuration interaction method 2,[104][105][106][107][108] . Configuration interaction calculations are performed in a computationally challenging basis 63 involving 20 (with spin) lowestenergy electron and hole states (up to the f shell of a single cylindrical quantum dot) and leading to the total 400 excitonic configuration, wheres the largest computational cost is related to calculation of 160,000 electron-hole Coulomb integrals 105,106 over a computational box containing over 1.3 × 10 6 atoms.…”
Section: Methodsmentioning
confidence: 99%
“…In reality, not all of these states exist due to close-by continuum states. Furthermore, the envelope wave approximation is a simplification compared to a fully atomistic treatment 47 . Finally, this approach assumes that angular momentum is a good quantum number, allowing radiative Auger with the d 0shell but not with p-shells.…”
Section: Radiative Auger Process: Theorymentioning
confidence: 99%
“…On the theoretical side, even when there exist a number of advanced approaches to investigate the electron-electron (e-e) interaction in nanostructures, usually such formalisms are limited to one or few charge carriers and to the nanometric scale [22,23,24,25,26]. Modeling of micron-long semiconductor NWs and the e-e interaction for electronic densities (n) obtained from usual doping levels (10 16 -10 19 electrons/cm 3 ) is a very cumbersome task, impracticable to carry out in a direct way.…”
Section: Introductionmentioning
confidence: 99%