Large Magnetoresistance at Room Temperature in Organic Molecular Tunnel Junctions with Nonmagnetic Electrodes.

We report room-temperature resistance changes of up to 30% under weak magnetic fields (0.1 T) for molecular tunnel junctions composed of oligophenylene thiol molecules, 1-2 nm in length, sandwiched between gold contacts. The magnetoresistance (MR) is independent of field orientation and the length of the molecule; it appears to be an interface effect.

Interface Design Principles for High-Performance Organic Semiconductor Devices.

is demonstrated to suppress interface recombination in an organic photo-voltaic device. These strategies lead to a dramatic improvement in a model bilayer system and bulk-heterojunction system. These interface strategies are applicable to a wide variety of donor-acceptor systems, making them both fundamentally interesting and technologically relevant for achieving high efficiency organic electronic devices.

Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers.

We theoretically investigate the role of conformational disorder and intermolecular interactions on the localization properties of electronic states, leading to the formation of carrier traps in amorphous aggregates of conjugated polymers. Samples of amorphous conformations of poly(p-phenylene vinylene) (PPV), poly2-methoxy-5-(2-ethyl-hexyloxy)PPV (MEH-PPV), and [poly-(9,9'-dioctyluorene)] (PFO) oligomers are simulated by classical molecular dynamics, while their electronic structure is calculated using first-principles density functional theory. Localization and delocalization properties of molecular orbitals are studied based on the participation ratio analysis, an approach commonly used in inorganic semiconductors.

Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers.

Five different Density Functional Theory (DFT) models (ranging from pure GGA to long-range-corrected hybrid functionals) were used to study computationally the nature of the self-trapped electronic states in oligophenylene vinylenes. The electronic excitations in question include the lowest singlet (S1) and triplet (T1(†)) excitons (calculated using Time Dependent DFT (TD-DFT) method), positive (P(+)) and negative (P(-)) polarons, and the lowest triplet (T1) states (computed with the Self-Consistent Field (SCF) scheme). The polaron formation (spatial localization of excitations) is observed only with the use of range-corrected hybrid DFT models including long-range electronic exchange interactions.

Electrical spin injection and detection in silicon nanowires through oxide tunnel barriers.

We demonstrate all-electrical spin injection, transport, and detection in heavily n-type-doped Si nanowires using ferromagnetic Co/Al(2)O(3) tunnel barrier contacts. Analysis of both local and nonlocal spin valve signals at 4 K on the same nanowire device using a standard spin-transport model suggests that high spin injection efficiency (up to ~30%) and long spin diffusion lengths (up to ~6 μm) are achieved. These values exceed those reported for spin transport devices based on comparably doped bulk Si.

Electronic structure of self-assembled amorphous polyfluorenes.

We investigate the role of conformational disorder and intermolecular interactions on the electronic structure of amorphous clusters of polyfluorenes. Classical molecular dynamics simulations are used to determine probable molecular geometries and chain packing, and first-principles density functional theory calculations are employed to determine electronic structure and orbital localization properties. Intramolecular and intermolecular effects are disentangled by contrasting results for densely packed oligomer clusters and for ensembles of isolated oligomers with the same intramolecular geometries.

Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: first-principles calculations.

A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with the voltage bias of electrons transmitted across this interface. Using a Green's function approach within the local spin-density approximation, we calculate the spin-dependent current in a Fe/GaAs/Cu tunnel junction as a function of the applied bias voltage. We find a change in sign of the spin polarization of tunneling electrons with bias voltage due to the interface minority-spin resonance.

Density and spin response functions in ultracold fermionic atom gases.

We propose a new method of detecting the onset of superfluidity in a two-component ultracold fermionic gas of atoms governed by an attractive short-range interaction. By studying the two-body correlation functions we find that a measurement of the momentum distribution of the density and spin-response functions allows one to access separately the normal and anomalous densities. The change in sign at low momentum transfer of the normal-ordered part of the density response function signals the transition between a BEC and a BCS regime, characterized by small and large pairs, respectively.

Energy-transfer pumping of semiconductor nanocrystals using an epitaxial quantum well.

As a result of quantum-confinement effects, the emission colour of semiconductor nanocrystals can be modified dramatically by simply changing their size. Such spectral tunability, together with large photoluminescence quantum yields and high photostability, make nanocrystals attractive for use in a variety of light-emitting technologies--for example, displays, fluorescence tagging, solid-state lighting and lasers. An important limitation for such applications, however, is the difficulty of achieving electrical pumping, largely due to the presence of an insulating organic capping layer on the nanocrystals.