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Theoretical design of optical switches using the spin transition phenomenon
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics . Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics . Linköping University, The Institute of Technology.
2006 (English)In: Computing Letters, ISSN 1574-0404, Vol. 2, no 4, 237-249 p.Article in journal (Refereed) Published
Abstract [en]

The spin characteristics of octahedrically coordinated Fe(II) compounds are determined from first-principles quantum chemical calculations. Four novel Fe(II) spin transition materials are suggested for use in optical switching applications.

Place, publisher, year, edition, pages
2006. Vol. 2, no 4, 237-249 p.
Keyword [en]
SPIN TRANSITION; OPTICAL SWITCHING; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:liu:diva-14002DOI: 10.1163/157404006779194150OAI: oai:DiVA.org:liu-14002DiVA: diva2:22432
Available from: 2006-10-05 Created: 2006-10-05
In thesis
1. Light Control using Organometallic Chromophores
Open this publication in new window or tab >>Light Control using Organometallic Chromophores
2006 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

The interaction between light and organometallic chromophores has been investigated theoretically in a strive for fast optical filters. The main emphasis is on two-photon absorption and excited state absorption as illustrated in the Jablonski diagram. We stress the need for relativistic calculations and have developed methods to address this issue. Furthermore, we present how quantum chemical calculations can be combined with Maxwell's equations in order to simulate propagation of laser pulses through a materials doped with chromophores with high two-photon absorption cross sections. Finally, we also discuss how fast agile filters using spin-transition materials can be modeled in order to accomplish theoretical material design.

Place, publisher, year, edition, pages
Institutionen för fysik, kemi och biologi, 2006. 108 p.
Series
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 1274
Keyword
organometallic chromophores, two-photon absorption, excited state absorption, excited state dipole moment, four-component formalism, clamping levels, spin-transition
National Category
Other Physics Topics
Identifiers
urn:nbn:se:liu:diva-17232 (URN)91-85643-77-7 (ISBN)
Presentation
(English)
Opponent
Supervisors
Note

Report code: LIU-TEK-LIC-2006:55. On the day of the defence date the status on article III was Manuscript, article IV was Accepted and article V was Submitted.

Available from: 2009-03-12 Created: 2009-03-12 Last updated: 2013-10-24Bibliographically approved

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Henriksson, JohanNorman, Patrick

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