Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Gatti, G.; Crepaldi, Alberto; Puppin, Michele; Tancogne-Dejean, Nicolas; Xian, Lede; Giovannini, Umberto De; Roth, Silvan; Polishchuk, S.; Bugnon, Philippe; Magrez, Arnaud; Berger, H.; Frassetto, Fabio; Poletto, Luca; Moreschini, Luca; Moser, Simon; Bostwick, Aaron; Rotenberg, Eli; Rubio, Ángel; Chergui, Majed; Grioni, M.

doi:10.1103/physrevlett.125.076401

Cited by 44 publications

(34 citation statements)

References 60 publications

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“…In Refs. [31,33], it was shown that hybrid functional calculations with a fraction of exact exchange of 7% reproduce best the experimental results, compared to the standard fraction of 25% used in the HSE06 functional [34]. We employed the experimental lattice constant of 3.623 Å and we sampled the real space using a spacing of 0.3 bohrs and the Brillouin zone using a 7 × 7 × 3 kpoint grid.…”

Section: A Zrsisementioning

confidence: 99%

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Parameter-free hybridlike functional based on an extended Hubbard model: DFT+U+V

Tancogne-Dejean

Rubio

2020

Phys. Rev. B

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In this paper, we propose an energy functional at the level of DFT + U + V that allows us to compute selfconsistently the values of the onsite interaction, Hubbard U and Hund J, as well as the intersite interaction V. This functional extends the previously proposed ACBN0 functional [L. A. Agapito et al., Phys. Rev. X 5, 011006 (2015)] including both onsite and intersite interactions. We show that this ab initio self-consistent functional yields improved electronic properties for a wide range of materials, ranging from sp materials to strongly correlated materials. This functional can also be seen as an alternative general and systematic way to construct parameter-free hybrid functionals, based on the extended Hubbard model and a selected set of Coulomb integrals, and might be used to develop novel approximations. By extending the DFT + U method to materials where strong local and nonlocal interactions are relevant, this work opens the door to the ab initio study the electronic, ionic, and optical properties of a larger class of strongly correlated materials in and out of equilibrium.

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Section: A Zrsisementioning

confidence: 99%

“…We recently applied our functional to successfully reproduce the measured angle-resolved photoemission spectrum of ZrSiSe [33] including spin-orbit coupling. Formulas for noncollinear spins are presented in Appendix A.…”

Section: A Zrsisementioning

confidence: 99%

Parameter-free hybridlike functional based on an extended Hubbard model: DFT+U+V

Tancogne-Dejean

Rubio

2020

Phys. Rev. B

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“…4a. We recall that ZrSiSe shows a significant degree of electronic correlations 20,24,25 revealed through the reduction of the Drude spectral weight. Such interaction effects are expected to renormalize the plasmon dispersions at finite momenta and to slower the group velocity 26,27 .…”

Section: Main Textmentioning

confidence: 96%

Hyperbolic Plasmons Propagate through a Nodal Metal

Shao

Sternbach

Kim

et al. 2022

Preprint

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Metals are canonical plasmonic media at infrared and optical wavelengths allowing one to guide and manipulate light at sub-diffractional length scales. A special form of optical waveguiding is offered by highly anisotropic crystals revealing different signs of the dielectric function along orthogonal directions. These latter types of media are classified as hyperbolic and many crystalline insulators, semiconductors and artificial metal-based metamaterials belong to that class. Layered anisotropic metals are also anticipated to support hyperbolic waveguiding. Yet this behavior remains elusive primarily because interband processes introduce extreme losses and arrest light propagation. Here, we report on the observation of propagating hyperbolic waves in a prototypical layered nodal-line semimetal ZrSiSe. The unique electronic structure with touching energy bands at nodal points/lines suppresses losses and enables a hyperbolic regime at the telecommunications frequencies. The observed waveguiding in metallic ZrSiSe is a product of polaritonic hybridization between near-infrared light and long-lived nodal-line plasmons. By mapping the energy-momentum dispersion of the nodal-line hyperbolic modes in ZrSiSe we inquired into the role of additional screening associated with the surface states.

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“…Among NLSMs, the ZrXY system (X = Si, Ge, Sn; Y = S, Se, Te) is the most studied, because of its nodal-line network close to the Fermi energy [6]. This can lead to enhanced correlation effects, recently indicated to be important in ZrSiSe and ZriSiS [7][8][9] and associated with an unconventional mass enhancement and predicted semimetal-exciton insulator transition [10,11].…”

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confidence: 99%

NMR determination of Van Hove singularity and Lifshitz transitions in the nodal-line semimetal ZrSiTe

Tian

Zhu

et al. 2021

Phys. Rev. B

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We have applied nuclear magnetic resonance spectroscopy to study the distinctive network of nodal lines in the Dirac semimetal ZrSiTe. The low-T behavior is dominated by a symmetry-protected nodal line, with NMR providing a sensitive probe of the diamagnetic response of the associated carriers. A sharp low-T minimum in the NMR shift and (T 1 T ) −1 provides a quantitative measure of the dispersionless, quasi-two-dimensional behavior of this nodal line. We also identify a Van Hove singularity closely connected to this nodal line, and an associated T -induced Lifshitz transition. A disconnect in the NMR shift and linewidth at this temperature indicates the change in electronic behavior associated with this topological change. These features have an orientation-dependent behavior indicating a field-dependent scaling of the associated band energies.

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Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Cited by 44 publications

References 60 publications

Parameter-free hybridlike functional based on an extended Hubbard model: DFT+U+V

Parameter-free hybridlike functional based on an extended Hubbard model: DFT+U+V

Hyperbolic Plasmons Propagate through a Nodal Metal

NMR determination of Van Hove singularity and Lifshitz transitions in the nodal-line semimetal ZrSiTe

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