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It is well known that the ambient environment can dramatically renormalize the quasiparticle gap and exciton binding energies in low-dimensional materials, but the effect of the environment on the energy splitting of the spin-singlet and…

Materials Science · Physics 2021-02-03 Diana Y. Qiu , Felipe H. da Jornada , Steven G. Louie

In this paper, first, we present a general formulation to investigate the ground-state and elementary excitations of an excitonic insulator (EI) in real materials. In addition, we discuss the out-of-equilibrium state induced (albeit…

Strongly Correlated Electrons · Physics 2023-02-03 Efstratios Manousakis

We present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation (BSE) and the calculation of the screened Coulomb interaction in finite field. The…

Materials Science · Physics 2019-06-19 Ngoc Linh Nguyen , He Ma , Marco Govoni , Francois Gygi , Giulia Galli

By combining electron energy-loss spectroscopy and state-of-the-art computational methods, we were able to provide an extensive picture of the excitonic processes in $1T$-HfS$_2$. The results differ significantly from the properties of the…

Mesoscale and Nanoscale Physics · Physics 2018-10-17 Carsten Habenicht , Lorenzo Sponza , Roman Schuster , Martin Knupfer , Bernd Büchner

Excitonic states of tightly-bound electron-hole pairs dominate the optical response in a growing class of two-dimensional (2D) materials and their van der Waals (vdW) heterostructures. In transition metal dichalcogenides (TMDs) a useful…

Mesoscale and Nanoscale Physics · Physics 2025-10-17 Jiayu David Cao , Konstantin S. Denisov , Igor Zutic

Direct-gap materials hold promises for excitonic insulator. In contrast to indirect-gap materials, here the difficulty to distinguish from a Peierls charge density wave is circumvented. However, direct-gap materials still suffer from the…

Materials Science · Physics 2018-08-29 Zeyu Jiang , Yuanchang Li , Shengbai Zhang , Wenhui Duan

The excitonic behavior of anisotropic two-dimensional crystals is investigated using numerical methods. We employ a screened potential arising due to the system polarizability to solve the central-potential problem using the Numerov…

Mesoscale and Nanoscale Physics · Physics 2014-08-28 A. S. Rodin , A. Carvalho , A. H. Castro Neto

In recent years, enhanced light-matter interactions through a plethora of dipole-type polaritonic excitations have been observed in two-dimensional (2D) layered materials. In graphene, electrically tunable and highly confined…

Excitons consist of electrons and holes held together by their attractive Coulomb interaction. Although excitons are neutral excitations, spatial fluctuations in their charge density couple with the ions of the crystal lattice. This…

Materials Science · Physics 2024-01-18 Zhenbang Dai , Chao Lian , Jon Lafuente-Bartolome , Feliciano Giustino

We have developed a microspectroscopy technique for measuring gate-modulated reflectance to probe excitonic states in two-dimensional transition metal dichalcogenides. Successfully observing excited states of excitons from cryogenic to room…

Mesoscale and Nanoscale Physics · Physics 2026-05-08 Mengsong Xue , Kenji Watanabe , Takashi Taniguchi , Ryo Kitaura

We present a novel experimental protocol using Cathodoluminescence measurements as a function of the electron incident energy to study both exciton diffusion in a directional way and surface exciton recombination. Our approach overcomes the…

The optical properties of two-dimensional transition metal dichalcogenide monolayers such as MoS$_2$ or WSe$_2$ are dominated by excitons, Coulomb bound electron-hole pairs. Screening effects due the presence of hexagonal-BN surrounding…

Materials Science · Physics 2018-12-26 Iann C. Gerber , Xavier Marie

Using the first-principles GW-Bethe-Salpeter equation method, here we study the excited-state properties, including quasi-particle band structures and optical spectra, of phosphorene, a two-dimensional (2D) atomic layer of black phosphorus.…

Materials Science · Physics 2015-07-28 Vellayappan Dheivanayagam S/O Ganesan , Chun Zhang , Yuan Ping Feng , Lei Shen

In this study, we investigate excitonic properties of epitaxially grown WS2, which is of particular interest for various applications due to its potential for upscaling to wafer sized structures. Understanding the effect of the dielectric…

Many monolayer transition metal dichalcogenides, including MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$, are direct bandgap two-dimensional (2D) semiconductors with sharp optical resonances at excitonic bound state frequencies. Recent experiments…

Mesoscale and Nanoscale Physics · Physics 2025-10-27 Tobias M. R. Wolf , Tian Xie , Chenhao Jin , Allan H. MacDonald

We study exciton radiative decay in a two-dimensional material, taking into account large thermal population in the non-radiative states, from which excitons are scattered into the radiative states by acoustic phonons. We find an analytical…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 A. O. Slobodeniuk , D. M. Basko

Binding energy calculation in two-dimensional (2D) materials is crucial in determining their electronic and optical properties pertaining to enhanced Coulomb interactions between charge carriers due to quantum confinement and reduced…

Applied Physics · Physics 2020-07-01 S. Ahmad , M. Zubair , O. Jalil , M. Q. Mehmood , U. Younis , X. Liu , K. W. Ang , L. K. Ang

Absorption spectra, exciton energy levels and wave functions for solid Ne and Ar have been calculated from first principles using many-body techniques. Electronic band structures of Ne and Ar were calculated using the GW approximation.…

Other Condensed Matter · Physics 2009-11-10 S. Galamic-Mulaomerovic , C. H. Patterson

We present a microscopic theory of neutral excitons and charged excitons (trions) in monolayers of transition metal dichalcogenides, including molybdenum disulfide. Our theory is based on an effective mass model of excitons and trions,…

Materials Science · Physics 2015-08-12 Timothy C. Berkelbach , Mark S. Hybertsen , David R. Reichman

Using the spherical geometry, we introduce a novel model to study excitons confined in a three-dimensional space, which offers unparalleled mathematical simplicity while retaining much of the key physics. This new model consists of an…

Chemical Physics · Physics 2015-06-03 Pierre-François Loos
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