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We develop an ab initio method to simulate the infrared vibrational response of metallic systems in the framework of time-dependent density functional perturbation theory. By introducing a generalized frequency-dependent Born effective…

Materials Science · Physics 2021-04-21 Luca Binci , Paolo Barone , Francesco Mauri

We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of…

Materials Science · Physics 2025-06-17 Alberto Guandalini , Francesco Macheda , Giovanni Caldarelli , Francesco Mauri

We present ab initio many-body calculations of the optical absorption in bulk graphite, graphene and bilayer of graphene. Electron-hole interaction is included solving the Bethe-Salpeter equation on top of a GW quasiparticle electronic…

Materials Science · Physics 2015-05-14 Paolo E. Trevisanutto , Markus Holzmann , Michel Cote , Valerio Olevano

We study the linear optical absorption of bulk semiconductors in the presence of a homogeneous constant (dc) electric field with an approach suitable for including excitonic effects while working with many-band models. The absorption…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Federico Duque-Gomez , J. E. Sipe

The excitonic insulator, a quantum mechanical state arising from exciton condensation, was proposed theoretically many years ago but has yet to be experimentally confirmed. The discovery of correlated transition metal oxides based on $4d$…

Strongly Correlated Electrons · Physics 2024-10-18 Hidemaro Suwa , Shang-Shun Zhang , Cristian D. Batista

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…

The spectral properties of one exciton trapped in a self-assembled multi-layered quantum dot is obtained using a high precision variational numerical method. The exciton Hamiltonian includes the effect of the polarization charges, induced…

Quantum Physics · Physics 2014-12-24 Mariano Garagiola , Omar Osenda

The optical properties of the two-dimensional (2D) crystals are dominated by tightly bound electron-hole pairs (excitons) and lattice vibration modes (phonons). The exciton-phonon interaction is fundamentally important to understand the…

Materials Science · Physics 2021-02-09 Qing-Hai Tan , Yu-Jia Sun , Xue-Lu Liu , Yanyuan Zhao , Qihua Xiong , Ping-Heng Tan , Jun Zhang

The linear absorption spectrum of excitons in TMDC monolayers under the influence of an in-plane magnetic field is theoretically studied. We demonstrate that in-plane magnetic fields induce a hybridization between spin-bright and spin-dark…

We report calculations of oscillator strengths for the far infrared absorption of light by the excitonic complexes Xn- (the excess charge, n, ranging from one to four) confined in quantum dots. The magnetic field is varied in an interval…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Ricardo Perez , Augusto Gonzalez , Jorge Mahecha

We examine the absorption spectrum of electromagnetic radiation from excitons, where an exciton in the $1s$ state absorbs a photon and makes a transition to the $2p$ state. We demonstrate that the absorption spectrum depends strongly on the…

Condensed Matter · Physics 2009-10-31 K. Johnsen , G. M. Kavoulakis

The effects of the electron-phonon interaction on optical excitations can be understood in terms of exciton-phonon coupling, and require a careful treatment in low-dimensional materials with strongly bound excitons or strong electron-hole…

Materials Science · Physics 2022-02-17 Gabriel Antonius , Steven G. Louie

We have theoretically studied exciton states and photoluminescence spectra of strained wurtzite AlGaN/GaN quantum-well heterostructures. The electron and hole energy spectra are obtained by numerically solving the Schr\"odinger equation,…

Mesoscale and Nanoscale Physics · Physics 2019-08-14 E. P. Pokatilov , D. L. Nika , V. M. Fomin , J. T. Devreese

Vibrational spectroscopy, comprised of infrared absorption and Raman scattering spectroscopy, is widely used for label-free optical sensing and imaging in various scientific and industrial fields. The group theory states that the two…

Chemical Physics · Physics 2019-10-09 Kazuki Hashimoto , Venkata Ramaiah Badarla , Akira Kawai , Takuro Ideguchi

We theoretically explore a variant of RABBITT spectroscopy in which the attosecond-pulse train comprises isolated pairs of consecutive harmonics of the fundamental infrared probe frequency. In this scheme, one-photon and two-photon…

Atomic Physics · Physics 2019-05-15 Bejan Ghomashi , Nicolas Douguet , Luca Argenti

Resonant Raman scattering is investigated in monolayer WS$_2$ at low temperature with the aid of an unconventional spectroscopy technique, $i.e.$, Raman scattering excitation (RSE). The RSE spectrum is made up by sweeping the excitation…

Mesoscale and Nanoscale Physics · Physics 2017-07-13 Maciej R. Molas , Karol Nogajewski , Marek Potemski , Adam Babinski

Excitons in twisted bilayers of transition metal dichalcogenides have strongly modified dispersion relations due to the formation of periodic moir\'e potentials. The strong coupling to a light field in an optical cavity leads to the…

Mesoscale and Nanoscale Physics · Physics 2024-06-11 Kevin Jürgens , Daniel Wigger , Tilmann Kuhn

In the forthcoming years, the study of the fundamental interactions between gravitational waves (GWs) and matter will be crucial in order to understand what the new generations of GWs detectors will tell us. We present the inverse…

High Energy Physics - Phenomenology · Physics 2026-03-19 Víctor Fonoll

We present a model for electron scattering off nuclei and photon absorption in the resonance energy region (W <= 2 GeV). The elementary gamma/gamma* N-vertex is described using in-medium kinematics and up-to-date form factors for…

Nuclear Theory · Physics 2008-09-16 O. Buss , T. Leitner , U. Mosel , L. Alvarez-Ruso

We present a method for computing angle-resolved electron-energy-loss and gain spectroscopies for phonon and magnon excitations in transmission electron microscopy. Fractional scattering intensities are derived from the…

Materials Science · Physics 2025-01-30 José Ángel Castellanos-Reyes , Paul Zeiger , Ján Rusz