Upper limit on shift current generation in extended systems

Tan, Liang Z.; Rappe, Andrew M.

doi:10.1103/physrevb.100.085102

Phys. Rev. B

2019

DOI: 10.1103/physrevb.100.085102

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Upper limit on shift current generation in extended systems

Liang Z. Tan

Andrew M. Rappe

Abstract: 1 arXiv:1708.05433v1 [cond-mat.mes-hall]

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Cited by 41 publications

(44 citation statements)

References 41 publications

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“…For instance, we find that the bound on Σ shift z that is obtained in the 3D RM model is exceeded when next-neighbor hopping is introduced, and can diverge when the fundamental gap is driven to zero. This result is consistent with the recent analysis of Tan and Rappe [26], who suggested that Σ shift z can be enhanced when the range of inter-site hopping becomes larger than the lattice parameter.…”

supporting

confidence: 93%

“…As shown in Figure 4, H RM describes a 1D chain of atoms along the z direction, in which inversion symmetry is broken by alternating on-site energies (±∆) and hopping amplitudes (t ± δ). Despite its relative simplicity, the RM model has played a key role in the development of the modern theory of polarization [25] and recently in strategies to enhance nonlinear optical response functions [26]. The optical response of the RM Hamiltonian captures qualitative features of the nonlinear optical response in TaAs, as σ shg ijk (ω) is polarized parallel to the polar axis and exhibits a sharp peak at the threshold for absorption.…”

mentioning

confidence: 99%

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Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs

et al. 2018

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The dash-dotted curve in Figure 3b is a fit to |σ shg zzz | based on the two-photon term in equation (3). Given the simplicity of the model relative to the complexity of the full 3D bandstructure of TaAs, the 3D version of the RM model describes the data remarkably well. The peak position, low, and high energy tails of the spectrum are best described using parameterst = 1.5,δ = 1.4,t AB = 0.02, and ∆ = 0.428. The lattice parameters for TaAs are c = 1.165 nm, and b = a = 0.344 nm.The theory discussed above helps to identify the factors that contribute to a large SHG response. The first is a polar crystal structure such as 4mm (TaAs, NbAs, etc.) or mm2 (single layer monochalcogenides) consistent with a phenomenological description in terms of coupled ferroelectric chains. However, even when this description is possible there is a global bound on the frequency integrated second-order response, Σ shift z , of a system described by H RM that is given by,where G is also a dimensionless function of the dimensionless parameters, with a global maximum 0.604 [17]. Given this bound on Σ shift z , it is clear that the single most important factor in optimizing the second-order response of a 3D crystal is the effective aspect ratio parameter c 2 /ab.We conclude by addressing the question of ultimate bounds on Σ shift z , which is relevant not only to SHG, but to sensitivity of photodetectors and efficiency of solar cells based on Berry curvature generated intrinsic photogalvanic effects [21,28] as well. We have discovered a new connection between Σ shift z and the modern theory of polarization that generalizes the formulae for spectral weight beyond the RM Hamiltonian. Specifically we show that Σ shift z is unbounded and potentially divergent when the possibility of next-neighbor hopping is included.As demonstrated in the Supplementary Information, Σ shift z in two band systems, regardless of dimensionality d and range of electron hopping amplitude is given by,

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confidence: 93%

mentioning

confidence: 99%

Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs

et al. 2018

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“…Here the photon energies are resonant with 2 nd -and 3 rdorder perturbative transitions that interfere, and the inversion symmetry is effectively broken by the twocolor field (making the effect highly sensitive to the two-color relative phase). The resonant and perturbative nature of these effects precludes access to ultrafast dynamics and possible applications in the Terahertz regime, and is also limited in its conversion efficiency [29].More recently, nonlinear photocurrents were predicted and observed in dielectrics [30][31][32] and graphene [33][34][35][36] driven by intense quasi-monochromatic few-cycle pulses. The mechanism creating these photocurrents relies on the vector potential of the light field to have a nonzero time integral [32], i.e.…”

mentioning

confidence: 99%

Light-Driven Extremely Nonlinear Bulk Photogalvanic Currents

et al. 2021

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We report on the generation of bulk photocurrents in materials driven by non-resonant bi-chromatic fields that are circularly polarized and co-rotating. The non-linear photocurrents have a fully controllable directionality and amplitude without requiring carrier-envelope-phase stabilization or few-cycle pulses, and are generated with photon energies much smaller than the band gap (reducing heating in the photo-conversion process). We demonstrate with ab-initio calculations that the photocurrent generation mechanism is universal and arises in gaped materials (Si, diamond, MgO, hBN), in semi-metals (graphene), and in two-and three-dimensional systems. Photocurrents are shown to rely on sublaser-cycle asymmetries in the nonlinear response that build-up coherently from cycle-to-cycle as the conduction band is populated. Importantly, the photocurrents are always transverse to the major axis of the co-circular lasers regardless of the material's structure and orientation (analogously to a Hall current), which we find originates from a generalized time-reversal symmetry in the driven system. At high laser powers (~10 13 W/cm 2 ) this symmetry can be spontaneously broken by vast electronic excitations, which is accompanied by an onset of carrier-envelope-phase sensitivity and ultrafast many-body effects. Our results are directly applicable for efficient light-driven control of electronics, and for enhancing sub-band-gap bulk photovoltaic effects.Light-driven dynamics in solids with femtosecond and sub-femtosecond resolution have recently attracted considerable attention. Light-matter interactions can result in novel effects that originate from ultrafast dynamics including high harmonic generation (HHG) [1], and the creation of new states of matter [2][3][4][5][6][7][8][9][10]. The ability to control the electron motion in real-space, momentum-space and time, can give rise to unprecedented control over observable properties such as light emission [11][12][13][14][15][16][17][18][19] and magnetic fields [20]. One main avenue of research here is the generation and characterization of light-driven bulk electric currents in the absence of external bias. In materials with broken inversion symmetry, second-order nonlinear effects lead to shift currents through the bulk photovoltaic effect [21,22]. The driving force for carrier separation in the shift current mechanism is the coherent evolution of electron and hole wavefunctions, such that above-bandgap photovoltages can surpass the Shockley-Queisser limit [23]. Photocurrents can also arise in inversion-symmetric materials (where they are standardly forbidden) via mixing of bi-chromatic carrier waves with frequencies ω and 2ω [20,[24][25][26][27][28]. Here the photon energies are resonant with 2 nd -and 3 rdorder perturbative transitions that interfere, and the inversion symmetry is effectively broken by the twocolor field (making the effect highly sensitive to the two-color relative phase). The resonant and perturbative nature of these effects precludes access to ultrafast dyn...

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“…The topological nature of shift current (7-10) as well as the ability to yield high voltage exceeding a bandgap (7,(10)(11)(12), ultrafast responsivity to pulsed light (13)(14)(15)(16)(17)(18)(19), and the absence of the shot noise (9) have attracted significant interest. Recently, potential materials for these functions have been predicted and developed in succession, including inorganic (20)(21)(22)(23) and organic compounds (7,24,25) as well as topological materials (16,19,26,27).…”

mentioning

confidence: 99%

Defect tolerant zero-bias topological photocurrent in a ferroelectric semiconductor

Hatada

Nakamura

Sotome

et al. 2020

Proc. Natl. Acad. Sci. U.S.A.

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Lattice defect is a major cause of energy dissipation in conventional electric current due to the drift and diffusion motions of electrons. Different nature of current emerges when noncentrosymmetric materials are excited by light. This current, called the shift current, originates from the change in the Berry connection of electrons’ wave functions during the interband optical transition. Here, we demonstrate the defect tolerance of shift current using single crystals of ferroelectric semiconductor antimony sulfoiodide (SbSI). Although the dark conductance spreads over several orders of magnitude in each crystal due to the difference in the density of defect levels, the observed shift current converges to an identical value. We also reveal that the shift current is scarcely disturbed by the surface defects while they drastically suppress the conventional photocurrent. The defect tolerance is a manifestation of the topological nature of shift current, which will be a crucial advantage in optoelectronic applications.

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Upper limit on shift current generation in extended systems

Abstract: 1 arXiv:1708.05433v1 [cond-mat.mes-hall]

Cited by 41 publications

References 41 publications

Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs

Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs

Light-Driven Extremely Nonlinear Bulk Photogalvanic Currents

Defect tolerant zero-bias topological photocurrent in a ferroelectric semiconductor

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