相关论文: Frontier orbitals control dynamical disorder in mo…
We theoretically explore the crystal structures of K$_x$picene, for which a new aromatic superconductivity has recently been discovered for $x=3$, by systematically performing first-principles full structural optimization covering the…
In recent years, thin-film organic field-effect transistors (OFETs) have begun to be considered as a possible alternative to the hydrogenated amorphous silicon thin-film transistors (a-Si:H TFT's) used in active matrix flat panel displays…
We show that the recently synthesized charge-transfer material picene/F4TCNQ can be used as a gate-voltage controlled molecular switch. The picene/F4TCNQ system is compared with the extensive characterized anthraquinone-based molecular…
Research on organic thin-film transistors tends to focus on improvements in device performance, but very little is understood about the ultimate limits of these devices, the microscopic physical mechanisms responsible for their limitations,…
We use first-principle Quantum Monte-Carlo (QMC) simulations and numerical exact diagonalization to analyze the low-frequency charge carrier mobility within a simple tight-binding model of molecular organic semiconductors on a…
The processability and optoelectronic properties of organic semiconductors can be tuned and manipulated via chemical design. The substitution of the alkyl side chains by oligoethers has recently been successful for applications such as…
We study quantum transport in Dirac materials with a single fermionic Dirac cone (strong topological insulators and graphene in the absence of intervalley coupling) in the presence of non-Gaussian long-range disorder. We show, by directly…
Using first-principles calculations we analyze the electronic transport properties of a recently proposed anthraquinone based electrochemical switch. Robust conductance on/off ratios of several orders of magnitude are observed due to…
The physics of organic semiconductors is dominated by the effects of energetic disorder. We show that image forces reduce the electrostatic component of the total energetic disorder near an interface with a metal electrode. Typically, the…
We consider the bimolecular charge carrier recombination in amorphous organic semiconductors having a special kind of energetic disorder where energy levels for electrons and holes at a given transport site move in the same direction with…
Pinning and depinning of wave fronts are ubiquitous features of spatially discrete systems describing a host of phenomena in physics, biology, etc. A large class of discrete systems is described by overdamped chains of nonlinear oscillators…
We use semiclassical Hamiltonian optics to investigate the propagation of light rays through two-dimensional photonic crystals when slow spatial modulation of the lattice parameters induces mixed stable-chaotic ray dynamics. This modulation…
Bloch-Boltzmann transport theory fails to describe the carrier diffusion in current crystalline organic semiconductors, where the presence of large-amplitude thermal molecular motions causes substantial dynamical disorder. The charge…
I present a theory of electron dynamics in semiconductors with slowly varying composition. I show that the frequency-dependent conductivity, required for the description of transport and optical properties, can be obtained from a knowledge…
We present a model of charge transport in organic molecular semiconductors based on the effects of lattice fluctuations on the quantum coherence of the electronic state of the charge carrier. Thermal intermolecular phonons and librations…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…
Topological superconductors are one of the intriguing material groups from the viewpoint of not only condensed matter physics but also industrial application such as quantum computers based on Majorana fermion. For the real application,…
Closed-loop neurotechnology requires the capability to predict the state evolution and its regulation under (possibly) partial measurements. There is evidence that neurophysiological dynamics can be modeled by fractional-order dynamical…
While insensitive to weak non magnetic disorder, an s-wave superconductor can be driven insulating by strong disorder. Using a scheme that captures the correct ground state, and fully retains thermal amplitude and phase fluctuations, we…
Rapid progress in organic electronics demands new highly efficient organic semiconducting materials. Nevertheless, only few materials have been created so far that show reliable band-like transport with high charge mobilities, which…