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It is well-known that exciton effects are determinant to understand the optical absorption spectrum of low-dimensional materials. However, the role of excitons in nonlinear optical responses has been much less investigated at an…

Mesoscale and Nanoscale Physics · Physics 2024-06-21 J. J. Esteve-Paredes , M. A. García-Blázquez , A. J. Uría-Álvarez , M. Camarasa-Gómez , J. J. Palacios

We develop a microscopic large-$N$ theory of electron-electron interaction corrections to multi-legged Feynman diagrams describing second- and third-order nonlinear response functions. Our theory, which reduces to the well-known random…

Materials Science · Physics 2017-01-25 Habib Rostami , Mikhail I. Katsnelson , Marco Polini

Nonlinear optical responses are a crucial probe of physical systems including periodic solids. In the absence of electron-electron interactions, they are calculable with standard perturbation theory starting from the band structure of Bloch…

Strongly Correlated Electrons · Physics 2019-01-16 Daniel E. Parker , Takahiro Morimoto , Joseph Orenstein , Joel E. Moore

We analyze the many-particle correlations that affect the optical properties of two-dimensional semiconductors. These correlations manifest themselves through the specific optical resonances such as excitons, trions, etc. Starting from the…

Mesoscale and Nanoscale Physics · Physics 2021-03-24 A. Kudlis , I. Iorsh

Excitons are vital in the photophysics of materials, especially in low-dimensional systems. The conceptual and quantitative understanding of excitonic effects in nonlinear optical (NLO) processes is more challenging compared to linear ones.…

Materials Science · Physics 2026-02-26 Jiawei Ruan , Y. -H. Chan , Steven G. Louie

Excitonic effects in the linear optical response of semiconductors are well-known and the subject of countless experimental and theoretical studies. For the technologically important second order nonlinear response, however, description of…

Strongly Correlated Electrons · Physics 2007-05-23 Thomas G. Pedersen , Horia D. Cornean

Excitons play a key role in the linear optical response of 2D materials. However, their significance in the highly nonlinear optical response to intense mid-infrared light has often been overlooked. Using hBN as a prototypical example, we…

A major obstacle for computing optical spectra of solids is the lack of reliable approximations for capturing excitonic effects within time-dependent density-functional theory. We show that the trustful prediction of strongly bound…

We adapted a recently proposed framework to characterize the optical response of interacting electrons in solids in order to expedite its computation without compromise in accuracy at the microscopic level. Our formulation is based on…

Materials Science · Physics 2021-03-02 Emilia Ridolfi , Paolo E. Trevisanutto , Vitor M. Pereira

Linear and nonlinear optical properties of low dimensional nanostructures have attracted a large interest in the scientific community as tools to probe the strong confinement of the electrons and for possible applications in optoelectronic…

Materials Science · Physics 2017-03-08 C. Attaccalite , E. Cannuccia , M. Grüning

The nonlinear optical response of an excitonic insulator coupled to lattice degrees of freedom is shown to depend in strong and characteristic ways on whether the insulating behavior originates primarily from electron-electron or…

Strongly Correlated Electrons · Physics 2021-01-04 Denis Golez , Zhiyuan Sun , Yuta Murakami , Antoine Georges , Andrew J. Millis

In this paper, we study the third-order nonlinear optical response due to transitions between excitonic levels in two-dimensional transition metal dichalcogeniedes. To accomplish this, we use methods not applied to the description of…

Mesoscale and Nanoscale Physics · Physics 2021-06-14 J. C. G. Henriques , Høgni C. Kamban , Thomas G. Pedersen , N. M. R. Peres

We propose an analytical approach for calculating the linear and nonlinear optical (NLO) responses of monolayer transition metal dichalcogenides (TMDs) including excitonic effects. An effective Hamiltonian reproducing the trigonal warping…

Mesoscale and Nanoscale Physics · Physics 2019-07-03 Alireza Taghizadeh , T. G. Pedersen

Nonlinear responses in crystalline solids are attracting a great deal of attention because of exciting phenomena, such as the bulk photovoltaic effect in noncentrosymmetric crystals and the third harmonic generation related to Higgs modes…

Strongly Correlated Electrons · Physics 2023-12-18 Akira Kofuji , Robert Peters

The optical properties of two-dimensional materials are exceptional in several respects. They are highly anisotropic and frequently dominated by excitonic effects. Dipole-allowed second order non-linear optical properties require broken…

Mesoscale and Nanoscale Physics · Physics 2023-07-05 M. F. C. Martins Quintela , T. Garm Pedersen

Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room temperature. Nevertheless most {\it ab-initio} studies are…

Mesoscale and Nanoscale Physics · Physics 2016-06-06 Alejandro Molina-Sánchez , Maurizia Palummo , Andrea Marini , Ludger Wirtz

In transition metal dichalcogenides layers of atomic scale thickness, the electron-hole Coulomb interaction potential is strongly influenced by the sharp discontinuity of the dielectric function across the layer plane. This feature results…

We present a theoretical framework for nonlinear optics of graphene and other 2D materials in layered structures. We derive a key equation to find the effective electric field and the sheet current density in the 2D material for given…

Optics · Physics 2018-12-27 J. L. Cheng , J. E. Sipe , N. Vermeulen , C. Guo

We show that excitonic resonances and interexciton transitions can enhance the probability of spontaneous parametric down-conversion, a second-order optical response which generates entangled photon pairs. We benchmark our ab initio…

Computational Physics · Physics 2024-06-18 Fengyuan Xuan , MingRui Lai , Yaze Wu , Su Ying Quek

Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order…

Materials Science · Physics 2017-08-22 Yannick Gillet , Stefan Kontur , Matteo Giantomassi , Claudia Draxl , Xavier Gonze
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