Related papers: Bistable molecular conductors with a field-switcha…
Quasimolecules, which consist of two differently excited atoms in a resonantly excited gas, are considered. The energy of dissociation and typical sizes of such molecules are calculated in the first order of quantum-mechanical perturbation…
We consider electronic transport through break-junctions bridged by a single molecule in the Kondo regime. We describe the system by a two-channel Anderson model. We take the tunneling matrix elements to depend on the position of the…
We propose a scheme for driving a dipolar molecular rotor to rotate continuously by applying an external electric field: the dipolar rotor is fixed on a graphene sheet via a metal atom to facilitate the free rotation; it is in the meantime…
Single molecular electrets exhibiting single molecule electric polarization switching have been long desired as a platform for extremely small non-volatile storage devices, although it is controversial because of the poor stability of…
We consider electrical transport through molecules with Heisenberg-coupled spins arranged in a ring structure in the presence of an easy-axis anisotropy. The molecules are coupled to two metallic leads and a gate. In the charged state of…
Electric field induced collective reorientation of nematic molecules placed between two flat parallel electrodes is of importance for both fundamental science and practical applications. This reorientation is either homogeneous over the…
We investigate stability the dynamical properties of one-dimensional interwires polar soliton molecules in a biwire setup with dipole moments aligned perpendicularly to the line of motion and in opposite directions in different wires.…
An exact solution is presented for tunneling through a negative-U d-fold degenerate molecular quantum dot weakly coupled to electrical leads. The tunnel current exhibits hysteresis if the level degeneracy of the negative-U dot is larger…
The behavior of polar columnar phases made of bent shaped molecules (B_1Rev and B_1RevTilted) was studied under applied electric field. There are two competing mechanisms of switching in polar B_1RevTilted columnar phase: the collective…
The recent progress towards production of near-ground state quantum-degenerate molecules raises the issue of how such "small" molecules behave in an optical lattice. In this Letter we show that the coupling of the molecular orientation to…
Cell-fate transition can be modeled by ordinary differential equations (ODEs) which describe the behavior of several molecules in interaction, and for which each stable equilibrium corresponds to a possible phenotype (or 'biological…
Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…
We analyze two simple model planar molecules: an ionic molecule with D3 symmetry and a covalent molecule with D6 symmetry. Both symmetries allow the existence of chiral molecular orbitals and normal modes that are coupled to each other in a…
Molecular spintronics is made possible by the coupling between electronic configuration and magnetic po- larization of the molecules. For control and application of the individual molecular states it is necessary to both read and write…
We analyze theoretically the interplay between the torsional and the rotational motion of an aligned biphenyl-like molecule. To do so, we consider a transition between two electronic states with different internal torsional potentials,…
The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…
The quantum transport via a donor (D)-bridge (B)-acceptor (A) single molecule is studied using density functional theory in conjunction with the Landauer-B\"{u}ttiker formalism. Asymmetric electrical response for opposite biases is observed…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
We study a class of models for \sbentcore molecules using low density version of Local Density Functional Theory. Arms of the molecules are modeled using two- and three Gay-Berne (GB) interacting units of uniaxial and biaxial symmetry.…
Monte Carlo simulation performed on a lattice system of biaxial molecules possessing $D_{2h}$ symmetry and interacting with a second rank anisotropic dispersion potential yields three distinct macroscopic phases depending on the biaxiality…