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We investigate multi-terminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach in the self-consistent Hartree-Fock approximation. A new device…
Excitons, the bosonic quasiparticle emerging from Coulomb interaction between electrons and holes, will undergo a Bose-Einstein condensation(BEC) and transition into a superfluid state with global phase coherence at low temperatures. An…
We study the performance and limitations of a coherent interface between collective atomic states and single photons. A quantized spin-wave excitation of an atomic sample inside an optical resonator is prepared probabilistically, stored,…
We demonstrate the optical absorption has been enhanced in the small molecule organic solar cells by employing trapezoid grating structure. The enhanced absorption is mainly attributed to both waveguide modes and surface plasmon modes,…
Exciton-exciton interactions are key to understanding non-linear optical and transport phenomena in van der Waals heterobilayers, which emerged as versatile platforms to study correlated electronic states. We present a combined…
We demonstrate for the first time that impact ionization (II) [the inverse of Auger recombination (AR)] occurs with very high efficiency in semiconductor nanocrystals (NCs). Interband optical excitation of PbSe NCs at low pump intensities,…
Photoluminescence spectra measured on a type-II GaSb/GaAs quantum dot ensemble at high excitation power indicate a Mott transition from the low density state comprising of spatially-indirect excitons to a high density electron-plasma state.…
Inspired by Grimme's simplified Tamm-Dancoff density functional theory approach [S. Grimme, J. Chem. Phys. \textbf{138}, 244104 (2013)], we describe a simplified approach to excited state calculations within the GW approximation to the…
The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating information from density functional theory, has already been demonstrated for the optical…
In this paper we consider the essential electronic excited states in parallel chains of semiconducting polymers that are currently being explored for photovoltaic and light-emitting diode applications. In particular, we focus upon various…
In a nanoscale molecular junction at finite bias voltage,the intra-molecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively excited in a…
Ab initio techniques for studying the optical and vibrational properties of materials are well-established, but only a few recent studies have focused on the interaction between excitons and atomic vibrations. In this paper, we revisit the…
We study theoretically the optical properties of quantum tubes, one-dimensional semiconductor nanostructures where electrons and holes are confined to a cylindrical shell. In these structures, which bridge between 2D and 1D systems, the…
We study the rotational properties of a two-component Bose-Einstein condensed gas of distinguishable atoms which are confined in a ring potential using both the mean-field approximation, as well as the method of diagonalization of the…
We describe gapped single-particle and collective excitations across a superfluid to insulator quantum phase transition of particles (bosons or fermions) in a periodic potential, with an even number of particles per unit cell. We…
We propose a natural expansion of the atomic field operator in studying elementary excitations in trapped Bose-Einstein Condensation (BEC) system near T=0K. Based on this expansion, a system of coupled equations for elementary excitations,…
Optically generated electron-hole pairs can probe strongly correlated electronic matter, or, by forming exciton-polaritons within an optical cavity, give rise to photonic nonlinearities. The present paper theoretically studies the…
A first-principles study on the quasiparticles energy and optical absorption spectrum of fluorographene is presented by employing the GW + Bethe-Salpeter Equation (BSE) method with many-electron effects included. The calculated band gap is…
We study the optical response of VO2 in the M1 insulating phase using methods based on density functional theory in its most recent developments. We start from a hybrid functional approach which may be a good starting point to carry out…
We theoretically study how a scattered electron can entangle molecular spin qubits (MSQs). This requires solving the inelastic transport of a single electron through a scattering region described by a tight-binding interacting Hamiltonian.…