High-Mobility Hole Transport in Single-Grain PbSe Quantum Dot Superlattice Transistors.

Epitaxially-fused superlattices of colloidal quantum dots (QD epi-SLs) may exhibit electronic minibands and high-mobility charge transport, but electrical measurements of epi-SLs have been limited to large-area, polycrystalline samples in which superlattice grain boundaries and intragrain defects suppress/obscure miniband effects. Systematic measurements of charge transport in individual, highly-ordered epi-SL grains would facilitate the study of minibands in QD films. Here, we demonstrate the air-free fabrication of microscale field-effect transistors (μ-FETs) with channels consisting of single PbSe QD epi-SL grains (2-7 μm channel dimensions) and analyze charge transport in these single-grain devices.

From Femtoseconds to Gigaseconds: The SolDeg Platform for the Performance Degradation Analysis of Silicon Heterojunction Solar Cells.

Heterojunction Si solar cells exhibit notable performance degradation. We modeled this degradation by electronic defects getting generated by thermal activation across energy barriers over time. To analyze the physics of this degradation, we developed the SolDeg platform to simulate the dynamics of electronic defect generation.

Hierarchical carrier transport simulator for defected nanoparticle solids.

The efficiency of nanoparticle (NP) solar cells has grown impressively in recent years, exceeding 16%. However, the carrier mobility in NP solar cells, and in other optoelectronic applications remains low, thus critically limiting their performance. Therefore, carrier transport in NP solids needs to be better understood to further improve the overall efficiency of NP solar cell technology.

Metal-Insulator Transition in Nanoparticle Solids: Insights from Kinetic Monte Carlo Simulations.

Progress has been rapid in increasing the efficiency of energy conversion in nanoparticles. However, extraction of the photo-generated charge carriers remains challenging. Encouragingly, the charge mobility has been improved recently by driving nanoparticle (NP) films across the metal-insulator transition (MIT).

Colloidal Nanoparticles for Intermediate Band Solar Cells.

The Intermediate Band (IB) solar cell concept is a promising idea to transcend the Shockley-Queisser limit. Using the results of first-principles calculations, we propose that colloidal nanoparticles (CNPs) are a viable and efficient platform for the implementation of the IB solar cell concept. We focused on CdSe CNPs and we showed that intragap states present in the isolated CNPs with reconstructed surfaces combine to form an IB in arrays of CNPs, which is well separated from the valence and conduction band edges.

Solar nanocomposites with complementary charge extraction pathways for electrons and holes: Si embedded in ZnS.

We propose that embedding silicon nanoparticles (NP) into amorphous, nonstoichiometric ZnS leads to promising nanocomposites for solar energy conversion. Using ab initio molecular dynamics simulations we show that, upon high temperature amorphization of the host chalcogenide, sulfur atoms are drawn to the NP surface. We find that the sulfur content may be engineered to form a type II heterojunction, with complementary charge transport channels for electrons and holes, and that sulfur capping is beneficial to lower the nanoparticle gap, with respect to that of NPs embedded in oxide matrices.

Quantitative decoding of interactions in tunable nanomagnet arrays using first order reversal curves.

To develop a full understanding of interactions in nanomagnet arrays is a persistent challenge, critically impacting their technological acceptance. This paper reports the experimental, numerical and analytical investigation of interactions in arrays of Co nanoellipses using the first-order reversal curve (FORC) technique. A mean-field analysis has revealed the physical mechanisms giving rise to all of the observed features: a shift of the non-interacting FORC-ridge at the low-HC end off the local coercivity HC axis; a stretch of the FORC-ridge at the high-HC end without shifting it off the HC axis; and a formation of a tilted edge connected to the ridge at the low-HC end.

Self-organized criticality in glassy spin systems requires a diverging number of neighbors.

We investigate the conditions required for general spin systems with frustration and disorder to display self-organized criticality, a property which so far has been established only for the fully connected infinite-range Sherrington-Kirkpatrick Ising spin-glass model [Phys. Rev. Lett.

High-energy excitations in silicon nanoparticles.

We have investigated high energy excitations in approximately 1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation spectra, of surface reconstruction, surface passivation by alkyl groups, and the interaction between NPs. We have found that surface reconstruction may change excitation spectra dramatically at both low and high energies above the gap; absorption may be enhanced nonlinearly by the presence of alkyl groups, compared to that of unreconstructed, hydrogenated Si NPs, and by the interaction between NPs. Our findings can help interpret the recent experiments on multielectron generation in colloidal semiconductor NPs as well as help optimize photovoltaic applications of NPs.

Density of states and critical behavior of the Coulomb glass.

We present zero-temperature simulations for the single-particle density of states of the Coulomb glass. Our results in three dimensions are consistent with the Efros and Shklovskii prediction for the density of states. Finite-temperature Monte Carlo simulations show no sign of a thermodynamic glass transition down to low temperatures, in disagreement with mean-field theory.

Dislocation glasses: aging during relaxation and coarsening.

The dynamics of dislocations is reported to exhibit a range of glassy properties. We study numerically various versions of 2D edge dislocation systems, in the absence of externally applied stress. Two types of glassy behavior are identified (i) dislocations gliding along randomly placed, but fixed, axes exhibit relaxation to their spatially disordered stable state; (ii) if both climb and annihilation are allowed, irregular cellular structures can form on a growing length scale before all dislocations annihilate.

Reversal-field memory in the hysteresis of spin glasses.

We report a novel singularity in the hysteresis of spin glasses, the reversal-field memory effect, which creates a nonanalyticity in the magnetization curves at a particular point related to the history of the sample. The origin of the effect is due to the existence of a macroscopic number of "symmetric clusters" of spins associated with a local spin-reversal symmetry of the Hamiltonian. We use first order reversal curve (FORC) diagrams to characterize the effect and compare to experimental results on thin magnetic films.

Metastability and uniqueness of vortex states at depinning.

We present results from numerical simulations of the transport of vortices in the zero-field-cooled (ZFC) and the field-cooled (FC) state of a type-II superconductor. In the absence of an applied current I, we find that the FC state has a lower defect density than the ZFC state, and is stable against thermal cycling. On the other hand, by cycling I, surprisingly, we find that the ZFC state is the stable state.

Using hysteresis for optimization.

We propose a new optimization method based on a demagnetization procedure well known in magnetism. We show how this procedure can be applied as a general tool to search for optimal solutions in any system where the configuration space is endowed with a suitable "distance." We test the new algorithm on frustrated magnetic models and the traveling salesman problem.

Superconducting single-charge transistor in a tunable dissipative environment.

We study a superconducting single-charge transistor, where the coherence of Cooper pair tunneling is destroyed by the coupling to a tunable dissipative environment. Sequential tunneling and cotunneling processes are analyzed to construct the shape of the conductance peaks and their dependence on the dissipation and temperature. Unexpected features are found due to a crossover between two distinct regimes, one "environment assisted" the other "environment dominated.

Static and dynamic coupling transitions of vortex lattices in disordered anisotropic superconductors.

We use three-dimensional molecular dynamics simulations of magnetically interacting pancake vortices to study vortex matter in disordered, highly anisotropic materials such as BSCCO. We observe a sharp 3D-2D transition from vortex lines to decoupled pancakes as a function of relative interlayer coupling strength, with an accompanying large increase in the critical current reminiscent of a second peak effect. We find that decoupled pancakes, when driven, simultaneously recouple and order into a crystalline-like state at high drives.

Dynamic phases and the peak effect in dirty type II superconductors.

We study numerically and experimentally the dynamics of driven vortex matter. Our London-Langevin simulations find that the critical current exhibits a peak both across the Bragg glass to vortex glass transition and across the melting line. The peak is accompanied by a clear crossing of the I-V curves.

Vortices Freeze like Window Glass: The Vortex Molasses Scenario.

We overview several recent experimental and numerical observations, which are at odds with the vortex glass theory of the freezing of disordered vortex matter. To reinvestigate the issue, we performed numerical simulations of the overdamped London-Langevin model, and use finite size scaling to analyze the data. Upon approaching the transition the initial vortex-glass-type criticality is arrested at some crossover temperature.