Qualitative prediction of the confinement effect in the effective mass using a density functional k·p perturbation calculation

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A procedure is proposed to predict electronic structures in thin films from bulk properties using density functional k·p perturbation method. This procedure is based on the phenomenological expression of zero-point energy using effective mass approximation. It is found that the results by this procedure and those calculated using slab models agrees very well. A prediction is also demonstrated for the electronic structures of <110> uniaxially strained silicon thin films in the <001> confinement.

Original languageEnglish
Title of host publicationAIP Conference Proceedings
Pages481-482
Number of pages2
Volume1199
DOIs
Publication statusPublished - 2009
Event29th International Conference on Physics of Semiconductors, ICPS 29 - Rio de Janeiro, Brazil
Duration: 2008 Jul 272008 Aug 1

Other

Other29th International Conference on Physics of Semiconductors, ICPS 29
CountryBrazil
CityRio de Janeiro
Period08/7/2708/8/1

Fingerprint

electronic structure
perturbation
zero point energy
thin films
predictions
slabs
silicon
approximation

Keywords

  • Effective mass
  • Electronic structure
  • First-principles calculation
  • K.p perturbation
  • Silicon

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Qualitative prediction of the confinement effect in the effective mass using a density functional k·p perturbation calculation. / Yamauchi, Jun.

AIP Conference Proceedings. Vol. 1199 2009. p. 481-482.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Yamauchi, J 2009, Qualitative prediction of the confinement effect in the effective mass using a density functional k·p perturbation calculation. in AIP Conference Proceedings. vol. 1199, pp. 481-482, 29th International Conference on Physics of Semiconductors, ICPS 29, Rio de Janeiro, Brazil, 08/7/27. https://doi.org/10.1063/1.3295516
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