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Electronic structures of [1 1 1]-oriented free-standing InAs and InP nanowires

Liao, Gaohua; Luo, Ning; Chen, Ke Qiu and Xu, H. Q. LU (2016) In Journal of Physics: Condensed Matter 28(13).
Abstract

We report on a theoretical study of the electronic structures of the [1 1 1]-oriented, freestanding, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic sp3s, spinorbit interaction included, nearest-neighbor, tight-binding method. The band structures and the band state wave functions of these nanowires are calculated and the symmetry properties of the bands and band states are analyzed based on the C3v double point group. It is shown that all bands of these nanowires are doubly degenerate at the γ-point and some of these bands will split into non-degenerate bands when the wave vector k moves away from the γ-point as a manifestation of spin-splitting due to spinorbit... (More)

We report on a theoretical study of the electronic structures of the [1 1 1]-oriented, freestanding, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic sp3s, spinorbit interaction included, nearest-neighbor, tight-binding method. The band structures and the band state wave functions of these nanowires are calculated and the symmetry properties of the bands and band states are analyzed based on the C3v double point group. It is shown that all bands of these nanowires are doubly degenerate at the γ-point and some of these bands will split into non-degenerate bands when the wave vector k moves away from the γ-point as a manifestation of spin-splitting due to spinorbit interaction. It is also shown that the lower conduction bands of these nanowires all show simple parabolic dispersion relations, while the top valence bands show complex dispersion relations and band crossings. The band state wave functions are presented by the spatial probability distributions and it is found that all the band states show 2π/3-rotation symmetric probability distributions. The effects of quantum confinement on the band structures of the [1 1 1]-oriented InAs and InP nanowires are also examined and an empirical formula for the description of quantization energies of the lowest conduction band and the highest valence band is presented. The formula can simply be used to estimate the enhancement of the band gaps of the nanowires at different sizes as a result of quantum confinement.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
band structure, InAs, InP, semiconductor nanowire, spin-orbit interaction, tight-binding method
in
Journal of Physics: Condensed Matter
volume
28
issue
13
publisher
IOP Publishing
external identifiers
  • scopus:84960418501
  • wos:000371905200019
ISSN
0953-8984
DOI
10.1088/0953-8984/28/13/135303
language
English
LU publication?
yes
id
c373ef18-3d65-45c5-8f27-6f171fcaa264
date added to LUP
2016-07-11 14:36:21
date last changed
2017-01-08 05:56:24
@article{c373ef18-3d65-45c5-8f27-6f171fcaa264,
  abstract     = {<p>We report on a theoretical study of the electronic structures of the [1 1 1]-oriented, freestanding, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic sp<sup>3</sup>s<sup>∗</sup>, spinorbit interaction included, nearest-neighbor, tight-binding method. The band structures and the band state wave functions of these nanowires are calculated and the symmetry properties of the bands and band states are analyzed based on the C<sub>3v</sub> double point group. It is shown that all bands of these nanowires are doubly degenerate at the γ-point and some of these bands will split into non-degenerate bands when the wave vector k moves away from the γ-point as a manifestation of spin-splitting due to spinorbit interaction. It is also shown that the lower conduction bands of these nanowires all show simple parabolic dispersion relations, while the top valence bands show complex dispersion relations and band crossings. The band state wave functions are presented by the spatial probability distributions and it is found that all the band states show 2π/3-rotation symmetric probability distributions. The effects of quantum confinement on the band structures of the [1 1 1]-oriented InAs and InP nanowires are also examined and an empirical formula for the description of quantization energies of the lowest conduction band and the highest valence band is presented. The formula can simply be used to estimate the enhancement of the band gaps of the nanowires at different sizes as a result of quantum confinement.</p>},
  articleno    = {135303},
  author       = {Liao, Gaohua and Luo, Ning and Chen, Ke Qiu and Xu, H. Q.},
  issn         = {0953-8984},
  keyword      = {band structure,InAs,InP,semiconductor nanowire,spin-orbit interaction,tight-binding method},
  language     = {eng},
  month        = {03},
  number       = {13},
  publisher    = {IOP Publishing},
  series       = {Journal of Physics: Condensed Matter},
  title        = {Electronic structures of [1 1 1]-oriented free-standing InAs and InP nanowires},
  url          = {http://dx.doi.org/10.1088/0953-8984/28/13/135303},
  volume       = {28},
  year         = {2016},
}