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Defect centers in hexagonal boron nitride represent room-temperature single-photon sources in a layered van der Waals material. These light emitters appear with a wide range of transition energies ranging over the entire visible spectrum,…

We present a theory of electronic excitation energies and optical absorption spectra which incorporates energy-level renormalization and phonon-assisted optical absorption within a unified framework. Using time-independent perturbation…

Materials Science · Physics 2016-07-28 Christopher E. Patrick , Feliciano Giustino

Heterostructures of layered transition metal dichalcogenides (TMDs) host long-lived, tunable excitons, making them intriguing candidates for material-based quantum information applications. Light absorption in these systems induces a…

Materials Science · Physics 2023-08-25 Tomer Amit , Sivan Refaely-Abramson

Associating the presence of atomic vacancies to excited-state transport phenomena in two dimensional semiconductors is of emerging interest, and demands detailed understanding of the involved exciton transitions. Here we study the effect of…

Mesoscale and Nanoscale Physics · Physics 2023-10-05 Daniel Hernangómez-Pérez , Amir Kleiner , Sivan Refaely-Abramson

Understanding the electronic coupling and energy flow across layered two-dimensional heterostructures (HSs) is crucial to the exploitation of carrier and phonon transports as well as thermal management in next-generation optoelectronic…

Mesoscale and Nanoscale Physics · Physics 2026-05-29 Md. Shaikot Alam Shakil , Ting-Hsuan Wu , Xing He , Abu Montakim Tareq , Zhenjia Zhou , Libo Gao , Naihao Chiang , Ding-Shyue Yang

Van der Waals heterostructures obtained by artificially stacking two-dimensional crystals represent the frontier of material engineering, demonstrating properties superior to those of the starting materials. Fine control of the interlayer…

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

Heterostructures of van der Waals bonded layered materials offer unique means to tailor dielectric screening with atomic-layer precision, opening a fertile field of fundamental research. The optical analyses used so far have relied on…

Many recent experiments investigated potential and attractive means of modifying many-body interactions in two-dimensional materials through time-resolved spectroscopy techniques. However, the role of ultrafast phonon-assisted processes in…

Materials Science · Physics 2020-01-28 Dino Novko , Marko Kralj

The control of elastic and inelastic electron tunneling relies on materials with well defined interfaces. Van der Waals materials made of two-dimensional constituents form an ideal platform for such studies. Signatures of acoustic phonons…

In indirect band gap materials, phonon-assisted processes are key mechanisms for photoluminescence (PL). Using a first-principles many-body approach, we systematically investigate the phonon-assisted PL in bilayer MoS$_2$ and its dependence…

Materials Science · Physics 2026-02-25 Gyanu P. Kafle , Zhen-Fei Liu

Transition metal dichalcogenides (TMDCs) combine both strong light-matter-interaction and strong Coulomb-interaction for the formation of optically excitable excitons. Through radiative feedback control, a mechanism to control the linewidth…

Materials Science · Physics 2024-02-22 Thomas Tenzler , Andreas Knorr , Manuel Katzer

The linear absorption spectra in monolayers of transition metal dichalcogenides show pronounced signatures of the exceptionally strong exciton-phonon interaction in these materials. To account for both exciton and phonon physics in such…

Mesoscale and Nanoscale Physics · Physics 2020-05-20 F. Lengers , T. Kuhn , D. E. Reiter

We develop a first-principles theory of phonon-assisted optical absorption in semiconductors and insulators which incorporates the temperature dependence of the electronic structure. We show that the Hall-Bardeen-Blatt theory of indirect…

Materials Science · Physics 2015-10-22 Marios Zacharias , Christopher E. Patrick , Feliciano Giustino

Motivated by the successful synthesis of isolated ZrS2 and HfS2 transition metal dichalcogenide (TMD) monolayers and inspired by their nearly identical lattice constants, we construct and investigate a vertical ZrS2/HfS2 van der Waals (vdW)…

Materials Science · Physics 2025-12-23 Mohammad Ali Mohebpour , Carmine Autieri , Meysam Bagheri Tagani

Van der Waals heterostructures built by vertically stacked transition metal dichalcogenides (TMDs) exhibit a rich energy landscape including interlayer and intervalley excitons. Recent experiments demonstrated an ultrafast charge transfer…

Mesoscale and Nanoscale Physics · Physics 2022-09-09 Giuseppe Meneghini , Samuel Brem , Ermin Malic

Localized excitons play a vital role in the optical response of monolayers of transition metal dichalcogenides and can be exploited as single photon sources for quantum information technology. While the optical properties of such localized…

Mesoscale and Nanoscale Physics · Physics 2020-11-04 F. Lengers , T. Kuhn , D. E. Reiter

We reveal stacking-induced strong coupling between atomic motion and interlayer excitons through photocurrent measurements of WSe$_2$/MoSe$_2$ heterojunction photodiodes. Strong coupling manifests as pronounced periodic sidebands in the…

Van der Waals semiconductor heterostructures could be a platform to harness hot photoexcited carriers in the next generation of optoelectronic and photovoltaic devices. The internal quantum efficiency of hot-carrier devices is determined by…

Mesoscale and Nanoscale Physics · Physics 2020-10-14 Dinesh Yadav , Maxim Trushin , Fabian Pauly

Despite the weak, van-der-Waals interlayer coupling, photoinduced charge transfer vertically across atomically thin interfaces can occur within surprisingly fast, sub-50fs timescales. Early theoretical understanding of the charge transfer…

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