Stability and electronic, phononic, thermal and optical properties of SrX (X = S, Se) nanosheets based on AIMD and DFT computations.

We study the electronic structure, stability, and thermal and optical properties of hexagonal SrS and SrSe monolayers using first-principles calculations. PBEsol generally improves the calculated equilibrium properties of solids and their surfaces, predicting a wider band gap of the monolayers, which is closer to the results obtained with HSE06. Phonon dispersion relations and the ab initio molecular dynamics (AIMD) method confirm the dynamic and thermal stability of both structures. The phonon modes of a SrSe monolayer are lower in energy than those of SrS, and the gap between the acoustic and optical modes is larger, leading to weaker thermal properties such as heat capacity. Additionally, both SrS and SrSe monolayers show an active optical response in the far-visible light region, with some differences in how they behave optically depending on the direction of polarization. SrS exhibits a slightly higher static dielectric constant than that of SrSe, and the primary optical conductivity also follows the same trend. Another important finding is that an SrS monolayer exhibits plasmonic excitations, but SrSe does not.

The photocurrent generated by photon replica states of an off-resonantly coupled dot-cavity system.

Transport properties of a quantum dot coupled to a photon cavity are investigated using a quantum master equation in the steady-state regime. In the off-resonance regime, when the photon energy is smaller than the energy spacing between the lowest electron states of the quantum dot, we calculate the current that is generated by photon replica states as the electronic system is pumped with photons. Tuning the electron-photon coupling strength, the photocurrent can be enhanced by the influences of the photon polarization, and the cavity-photon coupling strength of the environment. We show that the current generated through the photon replicas is very sensitive to the photon polarization, but it is not strongly dependent on the average number of photons in the environment.

Manifestation of the Purcell Effect in Current Transport through a Dot-Cavity-QED System.

We study the transport properties of a wire-dot system coupled to a cavity and a photon reservoir. The system is considered to be microstructured from a two-dimensional electron gas in a GaAs heterostructure. The 3D photon cavity is active in the far-infrared or the terahertz regime. Tuning the photon energy, Rabi-resonant states emerge and in turn resonant current peaks are observed. We demonstrate the effects of the cavity-photon reservoir coupling, the mean photon number in the reservoir, the electron-photon coupling and the photon polarization on the intraband transitions occurring between the Rabi-resonant states, and on the corresponding resonant current peaks. The Rabi-splitting can be controlled by the photon polarization and the electron-photon coupling strength. In the selected range of the parameters, the electron-photon coupling and the cavity-environment coupling strengths, we observe the results of the Purcell effect enhancing the current peaks through the cavity by increasing the cavity-reservoir coupling, while they decrease with increasing electron-photon coupling. In addition, the resonant current peaks are also sensitive to the mean number of photons in the reservoir.

Thermoelectric Inversion in a Resonant Quantum Dot-Cavity System in the Steady-State Regime.

We theoretically investigate thermoelectric effects in a quantum dot system under the influence of a linearly polarized photon field confined to a 3D cavity. A temperature gradient is applied to the system via two electron reservoirs that are connected to each end of the quantum dot system. The thermoelectric current in the steady state is explored using a quantum master equation. In the presence of the quantized photons, extra channels, the photon replica states, are formed generating a photon-induced thermoelectric current. We observe that the photon replica states contribute to the transport irrespective of the direction of the thermal gradient. In the off-resonance regime, when the energy difference between the lowest states of the quantum dot system is smaller than the photon energy, the thermoelectric current is almost blocked and a plateau is seen in the thermoelectric current for strong electron-photon coupling strength. In the resonant regime, an inversion of thermoelectric current emerges due to the Rabi-splitting. Therefore, the photon field can change both the magnitude and the sign of the thermoelectric current induced by the temperature gradient in the absence of a voltage bias between the leads.

Coexisting spin and Rabi oscillations at intermediate time regimes in electron transport through a photon cavity.

In this work, we theoretically model the time-dependent transport through an asymmetric double quantum dot etched in a two-dimensional wire embedded in a far-infrared (FIR) photon cavity. For the transient and the intermediate time regimes, the current and the average photon number are calculated by solving a Markovian master equation in the dressed-states picture, with the Coulomb interaction also taken into account. We predict that in the presence of a transverse magnetic field the interdot Rabi oscillations appearing in the intermediate and transient regime coexist with slower non-equilibrium fluctuations in the occupation of states for opposite spin orientation. The interdot Rabi oscillation induces charge oscillations across the system and a phase difference between the transient source and drain currents. We point out a difference between the steady-state correlation functions in the Coulomb blocking and the photon-assisted transport regimes.

Generalized Master Equation Approach to Time-Dependent Many-Body Transport.

We recall theoretical studies on transient transport through interacting mesoscopic systems. It is shown that a generalized master equation (GME) written and solved in terms of many-body states provides the suitable formal framework to capture both the effects of the Coulomb interaction and electron-photon coupling due to a surrounding single-mode cavity. We outline the derivation of this equation within the Nakajima-Zwanzig formalism and point out technical problems related to its numerical implementation for more realistic systems which can neither be described by non-interacting two-level models nor by a steady-state Markov-Lindblad equation. We first solve the GME for a lattice model and discuss the dynamics of many-body states in a two-dimensional nanowire, the dynamical onset of the current-current correlations in electrostatically coupled parallel quantum dots and transient thermoelectric properties. Secondly, we rely on a continuous model to get the Rabi oscillations of the photocurrent through a double-dot etched in a nanowire and embedded in a quantum cavity. A many-body Markovian version of the GME for cavity-coupled systems is also presented.

Photon-induced tunability of the thermospin current in a Rashba ring.

The goal of this work is to show how the thermospin polarization current in a quantum ring changes in the presence of Rashba spin-orbit coupling and a quantized single photon mode of a cavity the ring is placed in. Employing the reduced density operator and a general master equation formalism, we find that both the Rashba interaction and the photon field can significantly modulate the spin polarization and the thermospin polarization current. Tuning the Rashba coupling constant, degenerate energy levels are formed corresponding to the Aharonov-Casher destructive phase interference in the quantum ring system. Our analysis indicates that the maximum spin polarization can be observed at the points of degenerate energy levels due to spin accumulation in the system without the photon field. The thermospin current is thus suppressed. In the presence of the cavity, the photon field leads to an additional kinetic momentum of the electron. As a result the spin polarization can be enhanced by the photon field.

Excitons in Core-Shell Nanowires with Polygonal Cross Sections.

The distinctive prismatic geometry of semiconductor core-shell nanowires leads to complex localization patterns of carriers. Here, we describe the formation of optically active in-gap excitonic states induced by the interplay between localization of carriers in the corners and their mutual Coulomb interaction. To compute the energy spectra and configurations of excitons created in the conductive shell, we use a multielectron numerical approach based on the exact solution of the multiparticle Hamiltonian for electrons in the valence and conduction bands, which includes the Coulomb interaction in a nonperturbative manner. We expose the formation of well-separated quasidegenerate levels, and focus on the implications of the electron localization in the corners or on the sides of triangular, square, and hexagonal cross sections. We obtain excitonic in-gap states associated with symmetrically distributed electrons in the spin singlet configuration. They acquire large contributions due to Coulomb interaction, and thus are shifted to much higher energies than other states corresponding to the conduction electron and the vacancy localized in the same corner. We compare the results of the multielectron method with those of an electron-hole model, and we show that the latter does not reproduce the singlet excitonic states. We also obtain the exciton lifetime and explain selection rules which govern the recombination process.

In-gap corner states in core-shell polygonal quantum rings.

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

Competition of static magnetic and dynamic photon forces in electronic transport through a quantum dot.

We investigate theoretically the balance of the static magnetic and the dynamical photon forces in the electron transport through a quantum dot in a photon cavity with a single photon mode. The quantum dot system is connected to external leads and the total system is exposed to a static perpendicular magnetic field. We explore the transport characteristics through the system by tuning the ratio, [Formula: see text], between the photon energy, [Formula: see text], and the cyclotron energy, [Formula: see text]. Enhancement in the electron transport with increasing electron-photon coupling is observed when [Formula: see text]. In this case the photon field dominates and stretches the electron charge distribution in the quantum dot, extending it towards the contact area for the leads. Suppression in the electron transport is found when [Formula: see text], as the external magnetic field causes circular confinement of the charge density around the dot.

Multi-domain electromagnetic absorption of triangular quantum rings.

We present a theoretical study of the unielectronic energy spectra, electron localization, and optical absorption of triangular core-shell quantum rings. We show how these properties depend on geometric details of the triangle, such as side thickness or corners' symmetry. For equilateral triangles, the lowest six energy states (including spin) are grouped in an energy shell, are localized only around corner areas, and are separated by a large energy gap from the states with higher energy which are localized on the sides of the triangle. The energy levels strongly depend on the aspect ratio of the triangle sides, i.e., thickness/length ratio, in such a way that the energy differences are not monotonous functions of this ratio. In particular, the energy gap between the group of states localized in corners and the states localized on the sides strongly decreases with increasing the side thickness, and then slightly increases for thicker samples. With increasing the thickness the low-energy shell remains distinct but the spatial distribution of these states spreads. The behavior of the energy levels and localization leads to a thickness-dependent absorption spectrum where one transition may be tuned in the THz domain and a second transition can be tuned from THz to the infrared range of electromagnetic spectrum. We show how these features may be further controlled with an external magnetic field. In this work the electron-electron Coulomb repulsion is neglected.

Double-finger-gate controlled spin-resolved resonant quantum transport in the presence of a Rashba-Zeeman gap.

We investigate double finger gate (DFG) controlled spin-resolved resonant transport properties in an n-type quantum channel with a Rashba-Zeeman (RZ) subband energy gap. By appropriately tuning the DFG in the strong Rashba coupling regime, resonant state structures in conductance can be found that are sensitive to the length of the DFG system. Furthermore, a hole-like bound state feature below the RZ gap and an electron-like quasi-bound state feature at the threshold of the upper spin branch can be found that is insensitive to the length of the DFG system.

Coherent transient transport of interacting electrons through a quantum waveguide switch.

We investigate coherent electron-switching transport in a double quantum waveguide system in a perpendicular static or vanishing magnetic field. The finite symmetric double waveguide is connected to two semi-infinite leads from both ends. The double waveguide can be defined as two parallel finite quantum wires or waveguides coupled via a window to facilitate coherent electron inter-wire transport. By tuning the length of the coupling window, we observe oscillations in the net charge current and a maximum electron conductance for the energy levels of the two waveguides in resonance. The importance of the mutual Coulomb interaction between the electrons and the influence of two-electron states is clarified by comparing results with and without the interaction. Even though the Coulomb interaction can lift two-electron states out of the group of active transport states the length of the coupling window can be tuned to locate two very distinct transport modes in the system in the late transient regime before the onset of a steady state. A static external magnetic field and quantum-dots formed by side gates (side quantum dots) can be used to enhance the inter-waveguide transport which can serve to implement a quantum logic device. The fact that the device can be operated in the transient regime can be used to enhance its speed.

Signature of snaking states in the conductance of core-shell nanowires.

We model a core-shell nanowire (CSN) by a cylindrical surface of finite length. A uniform magnetic field perpendicular to the axis of the cylinder forms electron states along the lines of zero radial field projection, which can classically be described as snaking states. In a strong field, these states converge pairwise to quasidegenerate levels, which are situated at the bottom of the energy spectrum. We calculate the conductance of the CSN by coupling it to leads and predict that the snaking states govern transport at low chemical potential, forming isolated peaks, each of which may be split in two by applying a transverse electric field. If the contacts with the leads do not completely surround the CSN, as is usually the case in experiments, the amplitude of the snaking peaks changes when the magnetic field is rotated, determined by the overlap of the contacts with the snaking states.

Electron transport through a quantum dot assisted by cavity photons.

We investigate transient transport of electrons through a single quantum dot controlled by a plunger gate. The dot is embedded in a finite wire with length Lx assumed to lie along the x-direction with a parabolic confinement in the y-direction. The quantum wire, originally with hard-wall confinement at its ends, ±Lx/2, is weakly coupled at t = 0 to left and right leads acting as external electron reservoirs. The central system, the dot and the finite wire, is strongly coupled to a single cavity photon mode. A non-Markovian density-matrix formalism is employed to take into account the full electron-photon interaction in the transient regime. In the absence of a photon cavity, a resonant current peak can be found by tuning the plunger-gate voltage to lift a many-body state of the system into the source-drain bias window. In the presence of an x-polarized photon field, additional side peaks can be found due to photon-assisted transport. By appropriately tuning the plunger-gate voltage, the electrons in the left lead are allowed to undergo coherent inelastic scattering to a two-photon state above the bias window if initially one photon was present in the cavity. However, this photon-assisted feature is suppressed in the case of a y-polarized photon field due to the anisotropy of our system caused by its geometry.

Nonperturbative approach to circuit quantum electrodynamics.

We outline a rigorous method which can be used to solve the many-body Schrödinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the geometry of the electronic system as well as the polarization of the quantized electromagnetic field are explicitly taken into account. We accomplish this by performing repeated truncations of many-body spaces in order to keep the size of the many particle basis on a manageable level. The electron-electron and electron-photon interactions are treated in a nonperturbative manner using "exact numerical diagonalization." Our results demonstrate that including the diamagnetic term in the photon-electron interaction Hamiltonian drastically improves numerical convergence. Additionally, convergence with respect to the number of photon states in the joint photon-electron Fock space basis is fast. However, the convergence with respect to the number of electronic states is slow and is the main bottleneck in calculations.