Random Walk over Basins of Attraction to Construct Ising Energy Landscapes

An efficient algorithm is developed to construct disconnectivity graphs by a random walk over basins of attraction. This algorithm can detect a large number of local minima, find energy barriers between them, and estimate local thermal averages over each basin of attraction. It is applied to the SK spin glass Hamiltonian where existing methods have difficulties even for a moderate number of spins. Finite-size results are used to make predictions in the thermodynamic limit that match theoretical approximations and recent findings on the free energy landscapes of SK spin glasses.Comment: 2 Figures and 1 Table. To be published in Physical Review Letter

Direct Observation of Early-stage Quantum Dot Growth Mechanisms with High-temperature Ab Initio Molecular Dynamics

Colloidal quantum dots (QDs) exhibit highly desirable size- and shape-dependent properties for applications from electronic devices to imaging. Indium phosphide QDs have emerged as a primary candidate to replace the more toxic CdSe QDs, but production of InP QDs with the desired properties lags behind other QD materials due to a poor understanding of how to tune the growth process. Using high-temperature ab initio molecular dynamics (AIMD) simulations, we report the first direct observation of the early stage intermediates and subsequent formation of an InP cluster from separated indium and phosphorus precursors. In our simulations, indium agglomeration precedes formation of In-P bonds. We observe a predominantly intercomplex pathway in which In-P bonds form between one set of precursor copies while the carboxylate ligand of a second indium precursor in the agglomerated indium abstracts a ligand from the phosphorus precursor. This process produces an indium-rich cluster with structural properties comparable to those in bulk zinc-blende InP crystals. Minimum energy pathway characterization of the AIMD-sampled reaction events confirms these observations and identifies that In-carboxylate dissociation energetics solely determine the barrier along the In-P bond formation pathway, which is lower for intercomplex (13 kcal/mol) than intracomplex (21 kcal/mol) mechanisms. The phosphorus precursor chemistry, on the other hand, controls the thermodynamics of the reaction. Our observations of the differing roles of precursors in controlling QD formation strongly suggests that the challenges thus far encountered in InP QD synthesis optimization may be attributed to an overlooked need for a cooperative tuning strategy that simultaneously addresses the chemistry of both indium and phosphorus precursors.Comment: 40 pages, 9 figures, submitted for publicatio

The parity of specular Andreev reflection under mirror operation in zigzag graphene ribbon

It is known that the parity of reflection amplitude can either be even or odd under the mirror operation. Up to now, all the parities of reflection amplitude in the one-mode energy region are even under the mirror operation. In this paper, we give an example of odd parity for Andreev reflection (AR) in a three-terminal graphene-supercondutor hybrid systems. We found that the parity is even for the Andreev retroreflection (ARR) and odd for specular Andreev reflection (SAR). We attribute this remarkable phenomenon to the distinct topology of the band structure of graphene and the specular Andreev reflection involving two energy bands with different parity symmetry. As a result of odd parity of SAR, the SAR probability of a four-terminal system with two superconducting leads (two reflection interfaces) can be zero even when the system is asymmetric due to the quantum interference of two ARs.Comment: 11 pages, 3 figure

Gate-controllable spin-battery

We propose a gate-controllable spin-battery for spin current. The spin-battery consists of a lateral double quantum dot under a uniform magnetic field. A finite DC spin-current is driven out of the device by controlling a set of gate voltages. Spin-current can also be delivered in the absence of charge-current. The proposed device should be realizable using present technology at low temperature.Comment: 3 pages, 3 figures, accepted by Appl. Phys. Let