相关论文: Real-Space Quantification of Exciton Localization …

We have developed an ab-initio-based fully-quantum numerically-accurate methodology for the simulation of the exciton dynamics and time- and frequency-resolved fluorescence spectra of the cavity-controlled two-dimensional materials at…

We present a novel method for precise numerical solution of the irreducible two-body problem and apply it to excitons in solids. The approach is based on the Monte Carlo simulation of the two-body Green function specified by Feynman's…

The existence of strongly bound excitons is one of the hallmarks of the newly discovered atomically thin semi-conductors. While it is understood that the large binding energy is mainly due to the weak dielectric screening in two dimensions…

Using an equation of motion (EOM) approach, we calculate excitonic properties of monolayer transition metal dichalcogenides (TMDs) perturbed by an external magnetic field. We compare our findings to the widely used Wannier model for…

The question of the correlation between magnetization, band splittings, and magnetic circular dichroism (MCD) in the fundamental gap region of dilute magnetic semiconductors is examined experimentally and theoretically taking the case of…

We present an alternative formalism for calculating the maximally localized Wannier functions in crystalline solids, obtaining an expression which is extremely simple and general. In particular, our scheme is exactly invariant under…

Since the seminal work of Marzari and Vanderbilt, maximally localized Wannier functions have become widely used as a real-space representation of the electronic structure of periodic materials. In this paper we introduce selectively…

Exciton dissociation plays a crucial role in the performance of optoelectronic devices based on two-dimensional (2D) transition metal dichalcogenides (TMDs). In this work, we investigate the effect of an in-plane electric field on the…

The electronic ground state of a periodic crystalline solid is usually described in terms of extended Bloch orbitals; localized Wannier functions can alternatively be used. These two representations are connected by families of unitary…

A new method for the localization of crystalline orbitals for entangled energy bands is proposed. It is an extension of the Wannier-Boys algorithm [C. M. Zicovich-Wilson, R. Dovesi, and V. R. Saunders, J. Chem. Phys. 115, 9708 (2001)] which…

A functional heterostructure is central to integrated circuitry in quantum photonics, optoelectronics, neuromorphic computing, spintronics, and straintronics. Recently, heterostructures combining 2D magnets and nonmagnetic transition metal…

We discuss a method for determining the optimally-localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid. By ``generalized Wannier functions'' we mean a set of localized orthonormal…

We study the exciton condensate (EC) in a bilayer two-dimension-electron-gas (2DEG) adjacent to a type-II superconductor thin film with an array of pinned vortex lattices. By applying continuum low energy theory and carrying numerical…

Atactic polystyrene of two different molecular weights (560900 g.mol-1 and 212400 g.mol-1) have been studied as spin-coated films of thickness varying from ~30 nm to ~250 nm, i.e., ~2Rg to ~12Rg where Rg is the unperturbed radius of…

The exciton-exciton interaction is investigated for quasi-two-dimensional quantum structures. A bosonization scheme is applied including the full spin structure. For generating the effective interaction potentials, the Hartree-Fock and…

We describe a method to calculate the electronic properties of an insulator under an applied electric field. It is based on the minimization of an electric enthalpy functional with respect to the orbitals, which behave as Wannier functions…

We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…

We propose a new model to implement organic exciton-semiconductor exciton hybridization by embedding a semiconductor quantum dot array into an organic medium. A Wannier-Mott transfer exciton is formed when the exciton in each semiconductor…

In this work, we investigate conditions which ensure the existence of an exponentially localized Wannier basis for a given periodic hamiltonian. We extend previous results in [Pan07] to include periodic zero flux magnetic fields which is…

With the ever-growing interest in quantum computing, understanding the behaviour of excitons in monolayer quantum dots has become a topic of great relevance. In this paper, we consider a Wannier exciton confined in a triangular quantum dot…