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We discuss here the effect of band nesting and topology on the spectrum of excitons in a single layer of MoS$_2$, a prototype transition metal dichalcogenide material. We solve for the single particle states using the ab initio based…

Materials Science · Physics 2020-03-25 Maciej Bieniek , Ludmiła Szulakowska , Paweł Hawrylak

The possibility of spatially resolving the optical properties of atomically thin materials is especially appealing as they can be modulated at the micro- and nanoscale by reducing their thickness, changing the doping level or applying a…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andres Castellanos-Gomez , Jorge Quereda , Herko P. van der Meulen , Nicolás Agraït , Gabino Rubio-Bollinger

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

We report ultrafast pump-probe spectroscopy examining exciton dynamics in atomically thin MoS2. Spectrally- and temporally-resolved measurements are performed to investigate the interaction dynamics of two important direct-gap excitons (A…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Sangwan Sim , Jusang Park , Jeong-Gyu Song , Chihun In , Yun-Shik Lee , Hyungjun Kim , Hyunyong Choi

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

We present a comprehensive first-principles analysis of the non-adiabatic effects due to the electron-phonon interaction on the vibrational spectrum of the electron-doped monolayer MoS$_{2}$. Deep changes in the Fermi surface upon doping…

Materials Science · Physics 2020-02-26 Peio Garcia-Goiricelaya , Jon Lafuente-Bartolome , Idoia G. Gurtubay , Asier Eiguren

Understanding the origin of splitting of valance band is important since it governs the unique spin and valley physics in few-layer MoS2. With first principle methods, we explore the effects of spin-orbit coupling and layer's coupling on…

Materials Science · Physics 2015-09-22 Xiaofeng Fan , W. T. Zheng , David J. Singh

We quantify the effect of the spin-orbit interaction on the Rydberg-like series of image state electrons at the (111) and (001) surface of Ir, Pt and Au. Using relativistic multiple-scattering methods we find Rashba-like dispersions with…

Materials Science · Physics 2007-05-23 J R McLaughlan , E M Llewellyn-Samuel , S Crampin

The effect of intermolecular interactions on intensity redistribution between individual electronic transitions in different polymorphs of fluorene and dibenzofuran was studied by transmittance electronic spectroscopy in the energy range…

Materials Science · Physics 2013-05-09 Lina Nakhimovsky

A self-consistent scheme for the calculations of the interacting groundstate and the near bandgap optical spectra of mono- and multilayer transition-metal-dichalcogenide systems is presented. The approach combines a dielectric model for the…

Mesoscale and Nanoscale Physics · Physics 2018-01-24 Lars Meckbach , Tineke Stroucken , Stephan W. Koch

Using wide spectral range in situ spectroscopic ellipsometry with systematic ultra high vacuum annealing and in situ exposure to oxygen, we report the complex dielectric function of MoS$_2$ isolating the environmental effects and revealing…

A newly synthesized layered material C2N was investigated based on many- body perturbation theory using GW plus Bethe-Salpeter equation approach. The electronic band gap was determined to be ranging from 3.75 to 1.89 eV from monolayer to…

Materials Science · Physics 2016-11-03 Jiuyu Sun , Ruiqi Zhang , Xingxing Li , Jinlong Yang

Spectral properties of the two-dimensional Bose-Hubbard model, which emulates ultracold gases of atoms confined in optical lattices, are investigated by means of the variational cluster approach. The phase boundary of the quantum phase…

Quantum Gases · Physics 2010-01-13 Michael Knap , Enrico Arrigoni , Wolfgang von der Linden

Coherent interaction between matter and periodic light field induces both optical Stark effect (OSE) and Bloch-Siegert shift (BSS). Observing the BSS has been historically challenging, not only because it is weak but it is often accompanied…

Mesoscale and Nanoscale Physics · Physics 2022-10-12 Yuxuan Li , Yaoyao Han , Wenfei Liang , Boyu Zhang , Yulu Li , Yuan Liu , Yupeng Yang , Jingyi Zhu , Kaifeng Wu

We explore the combined impact of sulfur vacancies and electronic interactions on the optical properties of monolayer MoS$_2$. First, we present a generalized Anderson-Hubbard Hamiltonian that accounts for both randomly distributed sulfur…

Disordered Systems and Neural Networks · Physics 2018-06-06 C. E. Ekuma , D. Gunlycke

We describe an on-shell, amplitudes-based approach to incorporating radiation absorption effects in the post-Minkowskian scattering of generic, compact, spinning bodies. Classical spinning observables are recovered by extrapolating to large…

High Energy Physics - Theory · Physics 2026-01-05 Juan Pablo Gatica , Callum R. T. Jones

Through systematic experimental and theoretical studies of layer-thickness-dependent absorption in semiconducting MoSe$_2$ and WS$_2$ across the visible to near-infrared spectral range, we demonstrate a universal absorption behavior in…

Mesoscale and Nanoscale Physics · Physics 2025-10-27 Bhumika Chauhan , Nikhil Singh , Subhrajit Dalai , Abhisek Saidarsan , Sayantan Patra , Sourabh Jain , Aparna Deshpande , Ashish Arora

In semiconductor physics, many essential optoelectronic material parameters can be experimentally revealed via optical spectroscopy in sufficiently large magnetic fields. For monolayer transition-metal dichalcogenide semiconductors, this…

Mesoscale and Nanoscale Physics · Physics 2020-08-20 M. Goryca , J. Li , A. V. Stier , T. Taniguchi , K. Watanabe , E. Courtade , S. Shree , C. Robert , B. Urbaszek , X. Marie , S. A. Crooker

Understanding exciton-defect interactions is critical for optimizing optoelectronic and quantum information applications in many materials. However, ab initio simulations of material properties with defects are often limited to high defect…

Materials Science · Physics 2025-05-22 Yang-hao Chan , Jonah B. Haber , Mit H. Naik , Diana Y. Qiu , Felipe H. da Jornada

We have measured the V 2p3/2 and O 1s x-ray absorption spectra of single crystal V2O5 and V6O13 and compared to linear combinations of atomic orbitals (LCAO) density of states (DOS) calculations. The spectra change dramatically with…

Condensed Matter · Physics 2009-10-22 E. Goering , O. Müller , M. Klemm , J. P. Urbach , H. Petersen , C. Jung , M. L. denBoer , S. Horn