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We present an \textit{ab initio} method to calculate phonon-assisted absorption and emission spectra in the presence of strong excitonic effects. We apply the method to bulk hexagonal BN which has an indirect band gap and is known for its…

Materials Science · Physics 2019-05-15 Fulvio Paleari , Henrique P. C. Miranda , Alejandro Molina-Sánchez , Ludger Wirtz

We show that hexagonal boron nitride (hBN), a two-dimensional insulator, when subjected to an external superlattice potential forms a new paradigm for electrostatically tunable excitons in the near- and mid-ultraviolet (UV). The imposed…

Mesoscale and Nanoscale Physics · Physics 2024-08-08 Pedro Ninhos , Christos Tserkezis , N. Asger Mortensen , Nuno M. R. Peres

Phonon-polaritons, mixed excitations of light coupled to lattice vibrations (phonons), are emerging as a powerful platform for nanophotonic applications. This is because of their ability to concentrate light into extreme sub-wavelength…

The temperature-dependent optical response of excitons in semiconductors is controlled by the exciton-phonon interaction. When the exciton-lattice coupling is weak, the excitonic line has a Lorentzian profile resulting from motional…

Materials Science · Physics 2017-05-31 T. Q. P. Vuong , G. Cassabois , P. Valvin , S. Liu , J. H. Edgar , B. Gil

Hexagonal boron nitride (hBN) is a wide band gap material with both strong excitonic light emission in the ultraviolet and strong exciton-phonon coupling. Luminescence experiments performed on the recently synthesized monolayer form (m-hBN)…

Materials Science · Physics 2023-02-28 Pierre Lechifflart , Fulvio Paleari , Davide Sangalli , Claudio Attaccalite

We combine electron energy-loss spectroscopy and first-principles calculations based on density-functional theory (DFT) to identify the lowest indirect exciton state in the in-plane charge response of hexagonal boron nitride (h-BN) single…

Mesoscale and Nanoscale Physics · Physics 2018-01-10 R. Schuster , C. Habenicht , M. Ahmad , M. Knupfer , B. Büchner

The photoluminescence spectrum of a single-layer boron nitride remains elusive, marked by enigmatic satellites that hint at a significant but unidentified exciton-phonon coupling.Here, by employing a first principles approach based on the…

Materials Science · Physics 2024-06-03 Giovanni Marini , Matteo Calandra , Pierluigi Cudazzo

The electronic and optical properties of 2D hexagonal boron nitride are studied using first principle calculations. GW and BSE methods are employed in order to predict with better accuracy the excited and excitonic properties of this…

Mesoscale and Nanoscale Physics · Physics 2019-02-20 F. Ferreira , A. J. Chaves , N. M. R. Peres , R. M. Ribeiro

We report here a giant zero-point energy renormalization of 273 meV in the direct band-gap at $\textbf{K}$ and a 571 meV of blue-shifting in the position of the doubly-degenerate brightest excitonic peak in monolayer hexagonal boron…

Strongly Correlated Electrons · Physics 2019-04-22 Himani Mishra , Sitangshu Bhattacharya

A new interpretation of the optical and energy-loss spectra of hexagonal boron nitride is provided based on first-principle calculations. We show that both spectra cannot be explained by independent-particle transitions but are strongly…

Materials Science · Physics 2007-05-23 Ludger Wirtz , Andrea Marini , Myrta Gruning , Angel Rubio

Electron-phonon ($e$-ph) interactions are key to understanding the dynamics of electrons in materials, and can be modeled accurately from first-principles. However, when electrons and holes form Coulomb-bound states (excitons), quantifying…

Materials Science · Physics 2020-09-09 Hsiao-Yi Chen , Davide Sangalli , Marco Bernardi

Cubic boron nitride (cBN) is a wide-bandgap polymorph of boron nitride whose optical response remains only partially understood due to the coexistence of indirect electronic transitions and strong exciton-phonon coupling. Using…

Materials Science · Physics 2026-04-21 Ashwin Pillai , Elena Cannuccia , Aurelien Manchon , Fulvio Paleari , Claudio Attaccalite

Phonon polaritons are quasiparticles resulting from strong coupling of photons with optical phonons. Excitation and control of these quasiparticles in 2D materials offer the opportunity to confine and transport light at the nanoscale. Here,…

Mesoscale and Nanoscale Physics · Physics 2015-01-13 Zhiwen Shi , Hans A. Bechte , Samuel Berweger , Yinghui Sun , Bo Zeng , Chenhao Jin , Henry Chang , Michael C. Martin , Markus B. Raschke , Feng Wang

Phonon-polaritons offer significant opportunities for low-loss, subdiffractional light guiding at the nanoscale. Despite extensive efforts to enhance control in polaritonic media, focused and spatially confined phonon-polariton waves have…

Mesoscale and Nanoscale Physics · Physics 2025-03-05 Bogdan Borodin , Sergey Lepeshov , Kenji Watanabe , Takashi Taniguchi , Petr Stepanov

A quantitative analysis of the excitonic luminescence efficiency in hexagonal boron nitride (hBN) is carried out by cathodoluminescence in the ultraviolet range and compared with zinc oxide and diamond single crystals. A high quantum yield…

The strong excitonic emission at 5.75 eV of hexagonal boron nitride (h-BN) makes this material one of the most promising candidate for light emitting devices in the far ultraviolet (UV). However, single excitons occur only in perfect…

We propose a macroscopic theory of optical phonons, Fr{\"o}hlich polarons, and exciton-polarons in two-dimensional (2D) polar crystalline monolayers. Our theory extends the classical macroscopic formulation of the electron-phonon problem in…

Mesoscale and Nanoscale Physics · Physics 2025-03-05 V. Shahnazaryan , A. Kudlis , I. V. Tokatly

Microcavity exciton-polaritons are two-dimensional bosonic quasiparticles composed by excitons and photons. Using model Hamiltonian with parameters generated from ab initio density-functional theory and Bathe-Salpeter Equation calculations,…

Materials Science · Physics 2021-12-01 Huaiyuan Yang , Xinqiang Wang , Xin-Zheng Li

Polaritons in two-dimensional materials provide extreme light confinement that is difficult to achieve with metal plasmonics. However, such tight confinement inevitably increases optical losses through various damping channels. Here we…

We report on the exciton formation and relaxation dynamics following photocarrier injection in a single-layer two-dimensional lead-iodide perovskite. We probe the time evolution of four distinct exciton resonances by means of time-resolved…

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