Laplacian-Level Quantum Hydrodynamic Theory for Plasmonics

Baghramyan, H.M.; Sala, Fabio Della; Ciracì, Cristian

doi:10.1103/physrevx.11.011049

Cited by 47 publications

(41 citation statements)

References 114 publications

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“…Finally, in recent years there has been significant activity by Ciracì and co-workers in quantum hydrodynamics invoking energy functionals of increasing complexity [324,325], thus going beyond the initial self-consistent treatments relying on Thomas-Fermi theory with von Weizsäcker gradient corrections [207].…”

Section: Perspectives On Semiclassical Theory Developmentsmentioning

confidence: 99%

Mesoscopic electrodynamics at metal surfaces

Mortensen

2021

Nanophotonics

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Plasmonic phenomena in metals are commonly explored within the framework of classical electrodynamics and semiclassical models for the interactions of light with free-electron matter. The more detailed understanding of mesoscopic electrodynamics at metal surfaces is, however, becoming increasingly important for both fundamental developments in quantum plasmonics and potential applications in emerging light-based quantum technologies. The review offers a colloquial introduction to recent mesoscopic formalism, ranging from quantum-corrected hydrodynamics to microscopic surface-response formalism, offering also perspectives on possible future avenues.

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Section: Perspectives On Semiclassical Theory Developmentsmentioning

confidence: 99%

Mesoscopic electrodynamics at metal surfaces

Mortensen

2021

Nanophotonics

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“…In fact, the von Weizsäcker correction in Eq. ( 20) is the first-order term in the expansion of the kinetic energy [39], and to construct a more generally valid functional one would need to consider higher-order terms (i.e., Laplacian dependence), which would introduce more free parameters [40].…”

Section: B Self-consistent Quantum Hydrodynamic Theorymentioning

confidence: 99%

“…For example, it predicts unexpected modes between the surface and bulk plasmon frequencies lying in the far tail region of the exponentially decaying charge density. Very recently, a development in the QHT theory based on the Laplacian-level kinetic energy functionals has been presented [40]. The introduction of Laplacian-dependent charge density results in more robust numerical solutions, but its implementation becomes more complex.…”

Section: B Self-consistent Quantum Hydrodynamic Theorymentioning

confidence: 99%

Influence of the electron spill-out and nonlocality on gap plasmons in the limit of vanishing gaps

et al. 2021

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We study the effect of electron spill-out and of nonlocality on the propagation of light inside a gap between two semi-infinite metallic regions. We compare the predictions of a local response model taking into account only the spill-out, to the predictions of a quantum hydrodynamic model able to take both phenomena into account. We show that only the latter is able to correctly retrieve the correct limit when the gap closes, while the local model suffers from undesirable features (divergence of the fields, overestimation of the losses). Finally, we show that, to a certain extent, the correct results can be retrieved using a simple local approach without spill-out or a conventional Thomas-Fermi approximation, but considering an effective gap width.

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“…However, it does not allow us to obtain an explicit expression in terms of the electron density. Therefore, the quest for the KE density functional is still open, also considering the importance of this quantity in many contexts including orbital-free density functional theory (OF-DFT) [5][6][7][8], subsystem DFT [9][10][11][12][13][14][15], and quantum hydrodynamic theory [16][17][18][19]. In addition, semilocal KE functionals have been used in meta-GGA exchange-correlation functionals to remove their orbital dependence [20][21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives

et al. 2022

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We consider kinetic energy functionals that depend, beside the usual semilocal quantities (density, gradient, Laplacian of the density), on a generalized Yukawa potential, that is the screened Coulomb potential of the density raised to some power. These functionals, named Yukawa generalized gradient approximations (yGGA), are potentially efficient real-space semilocal methods that include significant non-local effects and can describe different important exact properties of the kinetic energy. In this work, we focus in particular on the linear response behavior for the homogeneous electron gas (HEG). We show that such functionals are able to reproduce the exact Lindhard function behavior with a very good accuracy, outperforming all other semilocal kinetic functionals. These theoretical advances allow us to perform a detailed analysis of a special class of yGGAs, namely the linear yGGA functionals. Thus, we show how the present approach can generalize the yGGA functionals improving the HEG linear behavior and leading to an extended formula for the kinetic functional. Moreover, testing on several jellium cluster model systems allows highlighting advantages and limitations of the linear yGGA functionals and future perspectives for the development of yGGA kinetic functionals.

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Laplacian-Level Quantum Hydrodynamic Theory for Plasmonics

Cited by 47 publications

References 114 publications

Mesoscopic electrodynamics at metal surfaces

Mesoscopic electrodynamics at metal surfaces

Influence of the electron spill-out and nonlocality on gap plasmons in the limit of vanishing gaps

Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives

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