Kristinn Torfason

Dynamic electrical behavior of halide perovskite based solar cells

Abstract A dynamic electrical model is introduced to investigate the hysteretic effects in the J-V characteristics of perovskite based solar cells. By making a simple ansatz for the polarization relaxation, our model is able to reproduce qualitatively and quantitatively detailed features of measured J-V characteristics. Pre-poling effects are discussed, pointing out the differences between initially over- and under-polarized samples. In particular, the presence of the current overshoot observed in the reverse characteristics is correlated with the solar cell pre-conditioning. Furthermore, the dynamic hysteresis is analyzed with respect to changing the bias scan rate, the obtained results being consistent with experimentally reported data: the hysteresis amplitude is maximum at intermediate scan rates, while at very slow and very fast ones it becomes negligible. The effects induced by different relaxation time scales are assessed. The proposed dynamic electrical model offers a comprehensive view of the solar cell operation, being a practical tool for future calibration of tentative microscopic descriptions.

Molecular Dynamics Simulations of Field Emission From a Planar Nanodiode

High resolution molecular dynamics simulations with full Coulomb interactions of electrons are used to investigate field emission in planar nanodiodes. The effects of space charge and emitter radius are examined and compared to previous results concerning transition from Fowler-Nordheim to Child-Langmuir current. The Fowler-Nordheim law is used to determine the current density injected into the system and the Metropolis-Hastings algorithm to find a favourable point of emission on the emitter surface. A simple fluid like model is also developed and its results are in qualitative agreement with the simulations.

Thermoelectric current and Coulomb-blockade plateaus in a quantum dot

Abstract A Generalized Master Equation (GME) is used to study the thermoelectric currents through a quantum dot in both the transient and steady-state regime. The two semi-infinite leads are kept at the same chemical potential but at different temperatures to produce a thermoelectric current which has a varying sign depending on the chemical potential. The Coulomb interaction between the electrons in the sample is included via the exact diagonalization method. We observe a saw-teeth like profile of the current alternating with plateaus of almost zero current. Our calculations go beyond the linear response with respect to the temperature gradient, but are compatible with known results for the thermopower in the linear response regime.

Synchronization in Arrays of Vacuum Microdiodes

Simulations have shown that space-charge effects can lead to regular modulation of photoemitted beams in vacuum diodes with gap sizes on the order of 1 μm and accelerating voltage on the order of 1 V. These modulations are in the terahertz regime and can be tuned by simply changing the emitter area or accelerating vacuum field. The average current in the diode corresponds to the Child-Langmuir current, but the amplitude of the oscillations is affected by various factors. Given the small size and voltage of the system, the maximum radiated ac power is expected to be small. In this paper, we show that an array of small emitters produces higher frequency signals than a single large emitter of the same area and how these emitters may be synchronized to produce higher power signals.

Terahertz pulsed photogenerated current in microdiodes at room temperature

Space-charge modulation of the current in a vacuum diode under photoemission leads to the formation of beamlets with time periodicity corresponding to THz frequencies. We investigate the effect of the emitter temperature and internal space-charge forces on the formation and persistence of the beamlets. We find that temperature effects are most important for beam degradation at low values of the applied electric field, whereas at higher fields, intra-beamlet space-charge forces are dominant. The current modulation is most robust when there is only one beamlet present in the diode gap at a time, corresponding to a macroscopic version of the Coulomb blockade. It is shown that a vacuum microdiode can operate quite well as a tunable THz oscillator at room temperature with an applied electric field above 10 MV/m and a diode gap of the order of 100 nm.

Generalized Master equation approach to mesoscopic time-dependent transport

We use a generalized Master equation (GME) formalism to describe the non-equilibrium time-dependent transport through a short quantum wire connected to semi-infinite biased leads. The contact strength between the leads and the wire are modulated by out-of-phase time-dependent functions which simulate a turnstile device. One lead is fixed at one end of the sample whereas the other lead has a variable placement. The system is described by a lattice model. We find that the currents in both leads depend on the placement of the second lead. In the rather small bias regime we obtain transient currents flowing against the bias for short time intervals. The GME is solved numerically in small time steps without resorting to the traditional Markov and rotating wave approximations. The Coulomb interaction between the electrons in the sample is included via the exact diagonalization method.

Coherent magnetotransport and time-dependent transport through split-gated quantum constrictions

The authors report on modeling of transport spectroscopy in split-gate-controlled quantum constrictions. A mixed momentum-coordinate representation is employed to solve a set of time-dependent Lippmann-Schwinger equations with intricate coupling between the subbands and the sidebands. Our numerical results show that the transport properties are tunable by adjusting the ac-biased split gates and the applied perpendicular magnetic field. We illustrate the Aharonov-Bohm oscillation characteristics in the split-gated systems and the time-modulated quasibound-state features involving intersideband transitions.

Molecular Dynamics Simulations of Field Emission From a Prolate Spheroidal Tip

High resolution molecular dynamics simulations with full Coulomb interactions of electrons are used to investigate field emission from a prolate spheroidal tip. The space charge limited current is several times lower than the current calculated with the Fowler-Nordheim formula. The image-charge is taken into account with a spherical approximation, which is good around the top of the tip, i.e. region where the current is generated.

Magnetotransport in a time-modulated double quantum point contact system

Abstract We report on a time-dependent Lippmann–Schwinger scattering theory that allows us to study the transport spectroscopy in a time-modulated double quantum point contact system in the presence of a perpendicular magnetic field. Magnetotransport properties involving inter-subband and inter-sideband transitions are tunable by adjusting the time-modulated split-gates and the applied magnetic field. The observed magnetic field induced Fano resonance feature may be useful for the application of quantum switching.

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.