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Kinetic Monte Carlo study of metal organic chemical vapor deposition growth dynamics of GaN thin film at microscopic level
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512). (Theoretical Chemistry)
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512). (Theoretical Chemistry)ORCID iD: 0000-0002-2442-1809
2008 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 103, no 10, 103524- p.Article in journal (Refereed) Published
Abstract [en]

Group III nitrides, especially gallium nitride (GaN), have many applications. The materials are usually grown by metal organic chemical vapor deposition (MOCVD) technology. By combining the computational fluid dynamics and kinetic Monte Carlo method, we present a multiscale modeling of fluid dynamics, thermodynamics, and molecular dynamics to study the chemical and physical growth process of GaN in a standard MOCVD reactor, which shows a general agreement with experimental results. The theoretical model thus provides us with a fundamental guideline for optimizing GaN MOCVD growth at the microscopic level.

Place, publisher, year, edition, pages
2008. Vol. 103, no 10, 103524- p.
National Category
Industrial Biotechnology
Identifiers
URN: urn:nbn:se:kth:diva-11448DOI: 10.1063/1.2927389ISI: 000256303800045Scopus ID: 2-s2.0-44649186233OAI: oai:DiVA.org:kth-11448DiVA: diva2:276163
Note
QC 20100713Available from: 2009-11-11 Created: 2009-11-11 Last updated: 2017-12-12Bibliographically approved
In thesis
1. Growth Dynamics of Semiconductor Nanostructures by MOCVD
Open this publication in new window or tab >>Growth Dynamics of Semiconductor Nanostructures by MOCVD
2009 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Semiconductors and related low-dimensional nanostructures are extremely important in the modern world. They have been extensively studied and applied in industry/military areas such as ultraviolet optoelectronics, light emitting diodes, quantum-dot photodetectors and lasers. The knowledge of growth dynamics of semiconductor nanostructures by metalorganic chemical vapour deposition (MOCVD) is very important then. MOCVD, which is widely applied in industry, is a kind of chemical vapour deposition method of epitaxial growth for compound semiconductors. In this method, one or several of the precursors are metalorganics which contain the required elements for the deposit materials. Theoretical studies of growth mechanism by MOCVD from a realistic reactor dimension down to atomic dimensions can give fundamental guidelines to the experiment, optimize the growth conditions and improve the quality of the semiconductor-nanostructure-based devices.

Two main types of study methods are applied in the present thesis in order to understand the growth dynamics of semiconductor nanostructures at the atomic level: (1) Kinetic Monte Carlo method which was adopted to simulate film growths such as diamond, Si, GaAs and InP using the chemical vapor deposition method; (2) Computational fluid dynamics method to study the distribution of species and temperature in the reactor dimension. The strain energy is introduced by short-range valence-force-field method in order to study the growth process of the hetero epitaxy.

The Monte Carlo studies show that the GaN film grows on GaN substrate in a two-dimensional step mode because there is no strain over the surface during homoepitaxial growth. However, the growth of self-assembled GaSb quantum dots (QDs) on GaAs substrate follows strain-induced Stranski-Krastanov mode. The formation of GaSb nanostructures such as nanostrips and nanorings could be determined by the geometries of the initial seeds on the surface. Furthermore, the growth rate and aspect ratio of the GaSb QD are largely determined by the strain field distribution on the growth surface.

Place, publisher, year, edition, pages
Stockholm: KTH, 2009. 87 p.
Series
Trita-BIO-Report, ISSN 1654-2312 ; 2009:22
Keyword
Growth dynamics, Monte Carlo, semiconductor quantum dot
National Category
Other Engineering and Technologies not elsewhere specified
Identifiers
urn:nbn:se:kth:diva-11447 (URN)978-91-7415-470-2 (ISBN)
Public defence
2009-12-10, FA31, AlbaNova, Roslagstullsbacken 21, Stockholm, 13:00 (English)
Opponent
Supervisors
Note
QC 20100713Available from: 2009-11-11 Created: 2009-11-10 Last updated: 2011-11-23Bibliographically approved

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Fu, Ying

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