Time Domain Surface Integral Equation Solvers for Quantum Corrected Electromagnetic Analysis of Plasmonic Nanostructures

Handle URI:
http://hdl.handle.net/10754/621891
Title:
Time Domain Surface Integral Equation Solvers for Quantum Corrected Electromagnetic Analysis of Plasmonic Nanostructures
Authors:
Uysal, Ismail Enes ( 0000-0003-4053-769X )
Abstract:
Plasmonic structures are utilized in many applications ranging from bio-medicine to solar energy generation and transfer. Numerical schemes capable of solving equations of classical electrodynamics have been the method of choice for characterizing scattering properties of such structures. However, as dimensions of these plasmonic structures reduce to nanometer scale, quantum mechanical effects start to appear. These effects cannot be accurately modeled by available classical numerical methods. One of these quantum effects is the tunneling, which is observed when two structures are located within a sub-nanometer distance of each other. At these small distances electrons “jump" from one structure to another and introduce a path for electric current to flow. Classical equations of electrodynamics and the schemes used for solving them do not account for this additional current path. This limitation can be lifted by introducing an auxiliary tunnel with material properties obtained using quantum models and applying a classical solver to the structures connected by this auxiliary tunnel. Early work on this topic focused on quantum models that are generated using a simple one-dimensional wave function to find the tunneling probability and assume a simple Drude model for the permittivity of the tunnel. These tunnel models are then used together with a classical frequency domain solver. In this thesis, a time domain surface integral equation solver for quantum corrected analysis of transient plasmonic interactions is proposed. This solver has several advantages: (i) As opposed to frequency domain solvers, it provides results at a broad band of frequencies with a single simulation. (ii) As opposed to differential equation solvers, it only discretizes surfaces (reducing number of unknowns), enforces the radiation condition implicitly (increasing the accuracy), and allows for time step selection independent of spatial discretization (increasing efficiency). The quantum model of the tunnel is obtained using density functional theory (DFT) computations, which account for the atomic structure of materials. Accuracy and applicability of this (quantum corrected) time domain surface integral equation solver will be shown by numerical examples.
Advisors:
Bagci, Hakan ( 0000-0003-3867-5786 )
Committee Member:
Ooi, Boon S. ( 0000-0001-9606-5578 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Balasubramaniam, Shanker
KAUST Department:
Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
Program:
Electrical Engineering
Issue Date:
Oct-2016
Type:
Dissertation
Appears in Collections:
Dissertations

Full metadata record

DC FieldValue Language
dc.contributor.advisorBagci, Hakanen
dc.contributor.authorUysal, Ismail Enesen
dc.date.accessioned2016-11-29T07:31:00Z-
dc.date.available2016-11-29T07:31:00Z-
dc.date.issued2016-10-
dc.identifier.urihttp://hdl.handle.net/10754/621891-
dc.description.abstractPlasmonic structures are utilized in many applications ranging from bio-medicine to solar energy generation and transfer. Numerical schemes capable of solving equations of classical electrodynamics have been the method of choice for characterizing scattering properties of such structures. However, as dimensions of these plasmonic structures reduce to nanometer scale, quantum mechanical effects start to appear. These effects cannot be accurately modeled by available classical numerical methods. One of these quantum effects is the tunneling, which is observed when two structures are located within a sub-nanometer distance of each other. At these small distances electrons “jump" from one structure to another and introduce a path for electric current to flow. Classical equations of electrodynamics and the schemes used for solving them do not account for this additional current path. This limitation can be lifted by introducing an auxiliary tunnel with material properties obtained using quantum models and applying a classical solver to the structures connected by this auxiliary tunnel. Early work on this topic focused on quantum models that are generated using a simple one-dimensional wave function to find the tunneling probability and assume a simple Drude model for the permittivity of the tunnel. These tunnel models are then used together with a classical frequency domain solver. In this thesis, a time domain surface integral equation solver for quantum corrected analysis of transient plasmonic interactions is proposed. This solver has several advantages: (i) As opposed to frequency domain solvers, it provides results at a broad band of frequencies with a single simulation. (ii) As opposed to differential equation solvers, it only discretizes surfaces (reducing number of unknowns), enforces the radiation condition implicitly (increasing the accuracy), and allows for time step selection independent of spatial discretization (increasing efficiency). The quantum model of the tunnel is obtained using density functional theory (DFT) computations, which account for the atomic structure of materials. Accuracy and applicability of this (quantum corrected) time domain surface integral equation solver will be shown by numerical examples.en
dc.language.isoenen
dc.subjectPlasmonicsen
dc.subjectTime-domainen
dc.subjectQuantum-tunnelingen
dc.subjectIntegral-equationen
dc.titleTime Domain Surface Integral Equation Solvers for Quantum Corrected Electromagnetic Analysis of Plasmonic Nanostructuresen
dc.typeDissertationen
dc.contributor.departmentComputer, Electrical and Mathematical Sciences and Engineering (CEMSE) Divisionen
thesis.degree.grantorKing Abdullah University of Science and Technologyen_GB
dc.contributor.committeememberOoi, Boon S.en
dc.contributor.committeememberSchwingenschlögl, Udoen
dc.contributor.committeememberBalasubramaniam, Shankeren
thesis.degree.disciplineElectrical Engineeringen
thesis.degree.nameDoctor of Philosophyen
dc.person.id118581en
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