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

Jun Yamauchi

doi:10.1063/1.3295516

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

Jun Yamauchi

Department of Physics

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 language	English
Title of host publication	AIP Conference Proceedings
Pages	481-482
Number of pages	2
Volume	1199
DOIs	https://doi.org/10.1063/1.3295516
Publication status	Published - 2009
Event	29th International Conference on Physics of Semiconductors, ICPS 29 - Rio de Janeiro, Brazil Duration: 2008 Jul 27 → 2008 Aug 1

Other

Other	29th International Conference on Physics of Semiconductors, ICPS 29
Country	Brazil
City	Rio de Janeiro
Period	08/7/27 → 08/8/1

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

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) https://doi.org/10.1063/1.3295516

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 proceeding › Conference 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

Yamauchi J. Qualitative prediction of the confinement effect in the effective mass using a density functional k·p perturbation calculation. In AIP Conference Proceedings. Vol. 1199. 2009. p. 481-482 https://doi.org/10.1063/1.3295516

Yamauchi, Jun. / Qualitative prediction of the confinement effect in the effective mass using a density functional k·p perturbation calculation. AIP Conference Proceedings. Vol. 1199 2009. pp. 481-482

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Access to Document

10.1063/1.3295516