Band Structures of Plasmonic Polarons

Caruso, Fabio; Lambert, Henry; Giustino, Feliciano

doi:10.1103/physrevlett.114.146404

Cited by 69 publications

(82 citation statements)

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“…Subsequent studies revealed that this approach may also prove useful to describe the plasmon satellites of silicon [35,45], graphene [37,46], and model systems [38,39]. Recently, the application of cumulant expansion to the calculation of angleresolved spectral function of simple semiconductors highlighted the dispersive character of plasmonic satellites [41]. In particular, it was found that the simultaneous excitation of a plasmon and a hole leads to the emergence of 'plasmonic polaron bands', that are broadened replica of the valence bands blue-shifted by the plasmon energy.…”

Section: Introductionmentioning

confidence: 99%

“…Refs. [17,23,24,27,29,32,36], given the renewed interest in this technique and its use in conjunction with the GWA [29,30,35,37,[41][42][43][44] it seems appropriate and timely to systematically develop and discuss the key aspects of the GW + cumulant (GW+C) theory for interpretations of the results of both the stationary and time-resolved spectroscopies. This program is carried out in Secs.…”

Section: Introductionmentioning

confidence: 99%

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On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands

et al. 2016

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PACS numbers: 71.15.Qe, 71.45.Gm Appendix A: Integral representation of cumulant seriesThe purpose of this appendix is to provide a rigorous mathematical foundation for the transformation (37) and its inverse (39) of the main text. We omit subscripts and superscripts and write simply ρ and C. Our goal is to define the mapping ρ(ν) → C(t), specify its domain and range, prove that it is one-to-one and onto, and describe its inverse map C(t) → ρ(ν). Moreover, at the end of the section we restrict our attention to a rather generic particular case that is sufficient for the application explained in the main part of this paper.Let M + (R) and M(R) respectively denote the space of finite positive measures and the space of finite signed measures on the real line (cf. Sections 1.2 and 4.1 in [1]). Indeed, an element of M(R) is simply a difference of two elements from M + (R). This space contains all absolutely integrable real-valued functions, but it also contains the "true" measures, such as absolutely summable linear combinations of Dirac delta-functions at certain points of R. For any finite signed measure ρ ∈ M(R) we interpret (37)of the main text asThis transformation is well-defined since the function (e −iνt − 1 + iνt)/ν 2 can be extended at ν = 0 in a way that it becomes a bounded continuous function on the whole real line and thus it can be integrated against the measure ρ. The basics of integration theory with respect to abstract measures can be found in the classical textbooks on measure theory, such as [1] and [2]. Let us remark that integration with respect to a general measure ρ is usually written with ρ(ν)dν replaced by dρ(ν) or ρ(dν) in mathematical literature in order to emphasize that ρ need not have a density (i.e. it could be a true measure). We will stick to the former notation, since it is also common to understand signed (or even complex) measures as particular cases of distributions (cf. Section 6.11 in [3]). * Corresponding author. Email: branko@ifs.hr Differentiation of (A1) is justified using the dominated convergence theorem (cf. Theorem 2.27(b) from [2]) and it yieldsĊ In the literature on probability theory (such as Chapter 3 of [7]), ρ is usually called the characteristic function of ρ, even though the normalization is slightly different there. Substituting t = 0 into (A1) and (A2) givesFrom (A3)-(A6) we see that an equivalent way of expressing C in terms of ρ iswith the usual convention thatIt is easy to see that C(t) is always two times continuously differentiable, but it is not true that every such function can be obtained from some ρ ∈ M(R), as we shall soon see.Now we claim that the transform defined by (A1) is a one-to-one map from M(R) to some collection of twice continuously differentiable functions, i.e. that different measures ρ map to different functions C. In order to verify that we assume ρ 1 → C and ρ 2 → C. From (A3) we get2 so the well-known fact that the Fourier-Stieltjes transform ρ → ρ is one-to-one (see Subsection VI. for any choice of points t 1 , . . . , t n ∈ R an...

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands

et al. 2016

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“…A well known example are plasma oscillations in solids that are detectable as satellites in the photoelectron spectrum. 60,61 Another one is the effect of vibrational motion of ions that provides an intrinsic mode of the material that is detectable in the electronic structure, most prominently as vibrational sidebands in optical absorption spectroscopy of molecules. 62 This is facilitated by the coupling of the electrons to the vibrational modes, also known as phonons in crystals.…”

Section: Introductionmentioning

confidence: 99%

Phonon Driven Floquet Matter

2018

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The effect of electron-phonon coupling in materials can be interpreted as a dressing of the electronic structure by the lattice vibration, leading to vibrational replicas and hybridization of electronic states. In solids a resonantly excited coherent phonon leads to a periodic oscillation of the atomic lattice in a crystal structure bringing the material into a non-equilibrium electronic configuration. Periodically oscillating quantum systems can be understood in terms of Floquet theory, which has a long tradition in the study of semi-classical light-matter interaction. Here, weshow that the concepts of Floquet analysis can be applied to coherent lattice vibrations reflecting the underlying coupling mechanism between electrons and coherent bosonic modes. This coupling leads to phonon-or photon-dressed quasi-particles imprinting specific signatures in the spectrum of the electronic structure. Such dressed electronic states can be detected by time-and angularresolved photoelectron spectroscopy (ARPES) manifesting as sidebands to the equilibrium band structure. Taking graphene as a paradigmatic material with strong electron-phonon interaction and non-trivial topology we show how the phonon-dressed states display an intricate sideband structure revealing the electron-phonon coupling at the Brillouin zone center and topological ordering of the Dirac bands. Most strikingly, we find that the non-equilibrium electronic structure created by coherent dynamical dressing is the same for photon and phonon perturbations. We demonstrate that if time-reversal symmetry is broken by the coherent lattice perturbations a topological phase transition can be induced. This work establishes that the recently demonstrated concept of lightinduced non-equilibrium Floquet phases can also be applied when using coherent phonon modes for the dynamical control of material properties. The present results are generic for bosonic timedependent perturbations, therefore we envision similar phenomena to be observed for example for plasmon, magnon or exciton driven materials.

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“…The cumulant approach has been successful at zero T in elucidating correlation effects beyond the GW approximation of MBPT in a variety of contexts [27][28][29][30][31][32]. For example, in contrast to GW , the approach explains the multiple-plasmon satellites observed in x-ray photoemission spectra (XPS) [27,[33][34][35][36].…”

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Finite Temperature Green’s Function Approach for Excited State and Thermodynamic Properties of Cool to Warm Dense Matter

Kas

Rehr

2017

Phys. Rev. Lett.

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We present a finite-temperature extension of the retarded cumulant Green's function for calculations of exited-state and thermodynamic properties of electronic systems. The method incorporates a cumulant to leading order in the screened Coulomb interaction W and improves excited state properties compared to the GW approximation of many-body perturbation theory. Results for the homogeneous electron gas are presented for a wide range of densities and temperatures, from cool to warm dense matter regime, which reveal several hitherto unexpected properties. For example, correlation effects remain strong at high T while the exchange-correlation energy becomes small. In addition, the spectral function broadens and damping increases with temperature, blurring the usual quasi-particle picture. Similarly Compton scattering exhibits substantial many-body corrections that persist at normal densities and intermediate T . Results for exchange-correlation energies and potentials are in good agreement with existing theories and finite-temperature DFT functionals. Finite temperature (FT) effects in electronic systems are both of fundamental interest and practical importance. These effects vary markedly depending on whether the temperature T is larger or smaller than the Fermi temperature T F (typically a few eV). At "cool" temperatures, where T is much smaller than T F , electrons are nearly degenerate, and Fermi factors and excitations such as phonons dominate the thermal behavior [1][2][3]. In contrast thermal occupations become nearly semi-classical and electronic excitations such as plasmons become important in the warm-dense-matter (WDM) regime, where T is of order T F or larger, and condensed matter is partially ionized. Recently there has been considerable interest in both experimental and theoretical investigations of WDM for applications ranging from laser-shocked systems and inertial confinement fusion to astrophysics [4,5]. Many of these studies focus on equilibrium thermodynamic properties, e.g., using the FT generalization of density functional theory (DFT) [6][7][8]. Although in principle, FT DFT is exact [9][10][11], practical applications require exchange-correlation functionals which must be approximated, e.g., by constrained fits [12] to theoretical electron gas calculations [8,[13][14][15][16][17]. However, these approaches have various limitations. First, many materials properties such as optical and x-ray spectra depend on quasi-particle or excited-state effects. For example, band-gaps depend on quasi-particle energies, and calculations of x-ray spectra [18] and Compton scattering require correlation corrections [19]. Although methods like quantum Monte-Carlo and the random phase approximation (RPA) can provide accurate correlation energies, they are not directly applicable to such excited state properties. Secondly, currently available exchangecorrelation functionals can exhibit unphysical behavior outside the range of validity of theoretical data [20]. On the other hand Green's function (GF) methods within...

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Band Structures of Plasmonic Polarons

Cited by 69 publications

References 55 publications

On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands

On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands

Phonon Driven Floquet Matter

Finite Temperature Green’s Function Approach for Excited State and Thermodynamic Properties of Cool to Warm Dense Matter

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