Related papers: Long-range repulsive interaction between TTF molec…
We have demonstrated transient charge localization effects with a driving high-frequency field of 7-fs, 1.5-cycle near infrared light in correlated organic conductors. In a layered organic conductor alpha-(BEDT-TTF)2I3 (BEDT-TTF:…
We introduce a new and general mechanism for superconductivity in Fermi systems with strong repulsive interaction. Because kinetic terms are small compared to the bare repulsion, the dynamic of charge carriers is constrained by the the…
From first principles calculations we find that the nearest and next nearest neighbor superexchange interactions between Fe ions in LaOFeAs are large, antiferromagnetic (AF), and give rise to a frustrated magnetic ground state which…
A new mechanism is proposed to explain the origin of negative differential resistance (NDR) in a strongly coupled single molecule-metal junction. A first-principles quantum transport calculation in a Fe-terpyridine linker molecule…
High-resolution thermal expansion measurements have been performed for exploring the mysterious "structureless transition" in (TMTTF)$_{2}$X (X = PF$_{6}$ and AsF$_{6}$), where charge ordering at $T_{CO}$ coincides with the onset of…
Collective diffusion coefficient in a one dimensional lattice gas adsorbate is calculated using variational approach. Particles interact via either a long-range, or a long range electron-gas-mediated (for a metallic substrate), or a…
Within the t-J model, the charge transport and spin response of the doped bilayer triangular antiferromagnet are studied by considering the bilayer interaction. Although the bilayer interaction leads to the band splitting in the electronic…
The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule TCNQ…
Unresolved thin-film dynamics often causes spurious coalescence in diffuse-interface simulations of multiphase flows. We address this issue by introducing a fully local repulsive near-contact flux in a conservative Allen--Cahn phase-field…
A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite…
We investigate the work function (WF) variation of different Au crystallographic surface orientations with carbon atom adsorption. Ab-initio calculations within density-functional theory are performed on carbon deposited (100), (110), and…
Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response.…
The influence of the combined effects of substrate-induced strain, finite size and electron irradiation-induced defects have been studied on individual micron-sized domains of the organic charge transfer compound…
Strongly correlated metals often display anomalous transport, including $T$-linear resistivity above the Mott-Ioffe-Regel limit. We introduce a tractable microscopic model for such bad metals, by supplementing the well-known Hubbard model…
Long-lived emissive materials based on room temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) are considered as the cornerstone of the development of optical sensors, security systems and solid-state…
When considering the optimal molecular packing to realize charge multiplication in organic photovoltaic materials, subtle changes in intermolecular charge transfer (CT) coupling can strongly modulate singlet fission. To understand why…
We report on a first principles study of anti-ferromagnetic resonance (AFMR) phenomena in metallic systems [MnX (X=Ir,Pt,Pd,Rh) and FeRh] under an external electric field. We demonstrate that the AFMR linewidth can be separated into a…
We study the spatial and orientational distribution of rodlike counterions (such as mobile nanorods) as well as the effective interaction mediated by them between two plane-parallel surfaces that carry fixed (quenched) heterogeneous charge…
In order to clarify the influence of ferromagnetism on superconductivity through a normal metal layer, the superconducting properties of epitaxial Nb(110)/Au(111)/Fe(110) trilayers were studied as a function of the thickness tAu of the…
We studied the pressure dependence of the room-temperature infrared reflectivity of (TMTTF)_2AsF_6 along all three optical axes. This anisotropic organic compound consists of molecular stacks with orbital overlap along the a direction; due…