Optical response of metallic nanostructures using quantum hydrodynamic theory and a hybridizable discontinuous Galerkin method.
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| Title: | Optical response of metallic nanostructures using quantum hydrodynamic theory and a hybridizable discontinuous Galerkin method. |
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| Authors: | Vidal-Codina, F.1 (AUTHOR) fvidal@mit.edu, Ciracì, C.2 (AUTHOR) cristian.ciraci@iit.it, Nguyen, N.-C.1 (AUTHOR) cuongng@mit.edu, Oh, S.-H.3 (AUTHOR) sang@umn.edu, Peraire, J.1 (AUTHOR) peraire@mit.edu |
| Source: | Journal of Computational Physics. Sep2023, Vol. 489, pN.PAG-N.PAG. 1p. |
| Subjects: | Quantum theory, Galerkin methods, Maxwell equations, Nanostructures, Electron density, Quantum tunneling, Electromagnetic wave scattering |
| Abstract: | An accurate modeling of the optical interactions in metallic nanostructures with subnanometer features requires an accurate description of quantum effects at the scale of billions of atoms. At such scale, first-principle methods are not computationally viable. Quantum hydrodynamic theory (QHT) has emerged as a powerful method that includes nonlocal contributions of the kinetic energy and the spatial dependence of the electron density, and it can predict both plasmon energy and spill-out effects in large metal nanoparticles. In this paper, we introduce a hybridizable discontinuous Galerkin method for solving Maxwell's equations coupled with a QHT model in order to account for quantum effects in three-dimensional metallic nanostructures. The coupled system of Maxwell's equations and QHT model is not only nonlinear but also multi-scale due to the interaction between the micrometer electromagnetic waves and the nanometer cavities of metallic nanostructures. We present extensive numerical experiments to validate the QHT model and demonstrate the capability of the HDG method to provide accurate solutions in the presence of strong nonlinearities and multiple length scales. These results offer a possibility to enhance nonlinear optical effects or to harness quantum mechanical electron tunneling by engineering metallic nanostructures at the quantum level. • An HDG method to simulate the equilibrium equation of quantum hydrodynamic theory. • An HDG method to simulate the first-order linear system of quantum hydrodynamic theory coupled with Maxwell's equations. • 2D simulation of metal nanowire and full 3D simulation of a periodic nanocoax array accounting for quantum effects. • Comparison of the optical response using quantum effects to that of local and nonlocal electron models for both applications. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Computational Physics is the property of Academic Press Inc. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 164638997 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Optical response of metallic nanostructures using quantum hydrodynamic theory and a hybridizable discontinuous Galerkin method. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Vidal-Codina%2C+F%2E%22">Vidal-Codina, F.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> fvidal@mit.edu</i><br /><searchLink fieldCode="AR" term="%22Ciracì%2C+C%2E%22">Ciracì, C.</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> cristian.ciraci@iit.it</i><br /><searchLink fieldCode="AR" term="%22Nguyen%2C+N%2E-C%2E%22">Nguyen, N.-C.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> cuongng@mit.edu</i><br /><searchLink fieldCode="AR" term="%22Oh%2C+S%2E-H%2E%22">Oh, S.-H.</searchLink><relatesTo>3</relatesTo> (AUTHOR)<i> sang@umn.edu</i><br /><searchLink fieldCode="AR" term="%22Peraire%2C+J%2E%22">Peraire, J.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> peraire@mit.edu</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Computational+Physics%22">Journal of Computational Physics</searchLink>. Sep2023, Vol. 489, pN.PAG-N.PAG. 1p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Quantum+theory%22">Quantum theory</searchLink><br /><searchLink fieldCode="DE" term="%22Galerkin+methods%22">Galerkin methods</searchLink><br /><searchLink fieldCode="DE" term="%22Maxwell+equations%22">Maxwell equations</searchLink><br /><searchLink fieldCode="DE" term="%22Nanostructures%22">Nanostructures</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+density%22">Electron density</searchLink><br /><searchLink fieldCode="DE" term="%22Quantum+tunneling%22">Quantum tunneling</searchLink><br /><searchLink fieldCode="DE" term="%22Electromagnetic+wave+scattering%22">Electromagnetic wave scattering</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: An accurate modeling of the optical interactions in metallic nanostructures with subnanometer features requires an accurate description of quantum effects at the scale of billions of atoms. At such scale, first-principle methods are not computationally viable. Quantum hydrodynamic theory (QHT) has emerged as a powerful method that includes nonlocal contributions of the kinetic energy and the spatial dependence of the electron density, and it can predict both plasmon energy and spill-out effects in large metal nanoparticles. In this paper, we introduce a hybridizable discontinuous Galerkin method for solving Maxwell's equations coupled with a QHT model in order to account for quantum effects in three-dimensional metallic nanostructures. The coupled system of Maxwell's equations and QHT model is not only nonlinear but also multi-scale due to the interaction between the micrometer electromagnetic waves and the nanometer cavities of metallic nanostructures. We present extensive numerical experiments to validate the QHT model and demonstrate the capability of the HDG method to provide accurate solutions in the presence of strong nonlinearities and multiple length scales. These results offer a possibility to enhance nonlinear optical effects or to harness quantum mechanical electron tunneling by engineering metallic nanostructures at the quantum level. • An HDG method to simulate the equilibrium equation of quantum hydrodynamic theory. • An HDG method to simulate the first-order linear system of quantum hydrodynamic theory coupled with Maxwell's equations. • 2D simulation of metal nanowire and full 3D simulation of a periodic nanocoax array accounting for quantum effects. • Comparison of the optical response using quantum effects to that of local and nonlocal electron models for both applications. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Computational Physics is the property of Academic Press Inc. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.jcp.2023.112260 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 1 StartPage: N.PAG Subjects: – SubjectFull: Quantum theory Type: general – SubjectFull: Galerkin methods Type: general – SubjectFull: Maxwell equations Type: general – SubjectFull: Nanostructures Type: general – SubjectFull: Electron density Type: general – SubjectFull: Quantum tunneling Type: general – SubjectFull: Electromagnetic wave scattering Type: general Titles: – TitleFull: Optical response of metallic nanostructures using quantum hydrodynamic theory and a hybridizable discontinuous Galerkin method. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Vidal-Codina, F. – PersonEntity: Name: NameFull: Ciracì, C. – PersonEntity: Name: NameFull: Nguyen, N.-C. – PersonEntity: Name: NameFull: Oh, S.-H. – PersonEntity: Name: NameFull: Peraire, J. IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 09 Text: Sep2023 Type: published Y: 2023 Identifiers: – Type: issn-print Value: 00219991 Numbering: – Type: volume Value: 489 Titles: – TitleFull: Journal of Computational Physics Type: main |
| ResultId | 1 |
