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A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
(AIP Publishing, 2022-06-21)
This Perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light-matter states. To tackle this complexity, the importance ...
Phonoritons as hybridized exciton-photon-phonon excitations in a monolayer h-BN optical cavity
(American Physical Society, 2022-06-04)
[EN] A phonoriton is an elementary excitation that is predicted to emerge from hybridization between exciton,
phonon, and photon. Besides the intriguing many-particle structure, phonoritons are of interest as they
could ...
Survival of Floquet-Bloch States in the Presence of Scattering
(American Chemical Society, 2021-06-23)
Floquet theory has spawned many exciting possibilities for electronic structure control with light, with enormous potential for future applications. The experimental demonstration in solids, however, remains largely ...
Realization of nearly dispersionless bands with strong orbital anisotropy from destructive interference in twisted bilayer MoS2
(Nature Research, 2021-09)
[EN]Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise ...
Simulating Vibronic Spectra without Born-Oppenheimer Surfaces
(ACS Publications, 2021-04-01)
We show how linear vibronic spectra in molecular systems can be simulated efficiently using first-principles approaches without relying on the explicit use of multiple Born-Oppenheimer potential energy surfaces. We demonstrate ...
High-Harmonic Generation from Spin-Polarised Defects in Solids
(Nature, 2020-01-31)
The generation of high-order harmonics in gases enabled to probe the attosecond electron dynamics in atoms and molecules with unprecedented resolution. Extending these techniques to solids, which were originally developed ...
Unravelling the Intertwined Atomic and Bulk Nature of Localised Excitons by Attosecond Spectroscopy
(Springer, 2021-02-15)
The electro-optical properties of most semiconductors and insulators of technological interest are dominated by the presence of electron-hole quasi-particles, called excitons. The manipulation of excitons in dielectrics ...
Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors
(Nature, 2021-08-03)
Bound states in superconductors are expected to exhibit a spatially resolved electron-hole asymmetry which is the hallmark of their quantum nature. This asymmetry manifests as oscillations at the Fermi wavelength, which ...
Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics
(American Chemical Society, 2021-11-09)
[EN] We demonstrate that a conditional wave function theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition ...
Nematicity Arising from a Chiral Superconducting Ground State in Magic-Angle Twisted Bilayer Graphene under In-Plane Magnetic Fields
(American Physical Society, 2021-09-13)
Recent measurements of the resistivity in magic-angle twisted bilayer graphene near the superconducting transition temperature show twofold anisotropy, or nematicity, when changing the direction of an in-plane magnetic ...