Related papers: Maximally-Localized Exciton Wannier Functions for …
Moir\'e superlattices open an unprecedented opportunity for tailoring interactions between quantum particles and their coupling to electromagnetic fields. Strong superlattice potential generates moir\'e minibands of excitons -- bound pairs…
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.…
We propose a simple first-principles method to describe propagation of tightly bound excitons. By viewing the exciton as a composite object (an effective Frenkel exciton in Wannier orbitals), we define an exciton kinetic kernel to…
Time-dependent Wannier functions were initially proposed as a means for calculating the polarization current in crystals driven by external fields. In this work, we present a simple gauge where Wannier states are defined based on the…
We explore the flatness of conduction and valence bands of interlayer excitons in MoS$_2$/WSe$_2$ van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model…
Transition-metal dichalcogenide heterostructures exhibit moir\'e patterns that spatially modulate the electronic structure across the material's plane. For certain material pairs, this modulation acts as a potential landscape with deep,…
The strong Coulomb forces in monolayer transition metal dichalcogenides ensure that optical excitation of band electrons gives rise to Wannier-Mott excitonic states, each of which can be conceptualized as a composite of a Gaussian…
Macroscopic quantum coherence emerges when bosons condense into a Bose-Einstein condensate (BEC). First observed as a single-component superfluid in helium, BECs later emerged in ultracold atomic gases at nanokelvin temperatures as weakly…
In semiconductor nanostructures, optical excitation typically creates bound electron-hole states, such as excitons, trions, and larger complexes. Their relative motion is described by the Wannier equation, which is valid only for spatially…
The energy band structure of excitons is studied in periodic potentials produced by the short-range interaction between the exciton and electrons of Wigner or Moir\'{e} lattices. Treating the exciton as a point-like dipole that interacts…
Maximally-localised Wannier functions (MLWFs) are routinely used to compute from first-principles advanced materials properties that require very dense Brillouin zone integration and to build accurate tight-binding models for scale-bridging…
We have developed a practical scheme to construct partly occupied, maximally localized Wannier functions (WFs) for a wide range of systems. We explain and demonstrate how the inclusion of selected unoccupied states in the definition of the…
We revisit low-temperature optical spectra of transition-metal dichalcogenide monolayers and point to a possible crystallization of electrons (or holes) at low to moderate charge densities. To calculate the excitonic spectra under such…
Monolayers of transition metal dichalcogenides (TMDCs) feature exceptional optical properties that are dominated by excitons, tightly bound electron-hole pairs. Forming van der Waals heterostructures by deterministically stacking individual…
We consider a periodic Schroedinger operator and the composite Wannier functions corresponding to a relevant family of its Bloch bands, separated by a gap from the rest of the spectrum. We study the associated localization functional…
Moir\'e superlattices are excellent platforms to realize strongly correlated quantum phenomena, such as Mott insulation and superconductivity. In particular, recent research has revealed stripe phases and generalized Wigner crystals at…
Moir\'e materials offer a versatile platform for engineering excitons with unprecedented control, promising next-generation optoelectronic applications. While continuum models are widely used to study moir\'e excitons due to their…
Strong Coulomb interactions in two-dimensional (2D) semiconductors give rise to tightly bound excitons, exciton polarons, and correlated electronic phases such as Wigner crystals (WCs), yet their mutual interplay remains poorly understood.…
Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of $\mathbf{k}$ points, which are essential to evaluate such quantities as the intrinsic anomalous Hall conductivity or Boltzmann transport…
Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as transition metal dichalcogenides moir\'e heterostructures under…