Related papers: Molecular shape and flexoelectricity
Recently, Tavarone et al. (J. Chem. Phys. 143, 114505 (2015)) discussed phase behavior of zig-zag and bow-shaped particles composed of three needles. The authors presented very interesting results of extensive Monte Carlo simulations with…
A system of optimal biaxial molecules placed at the sites of a cubic lattice is studied in an extended Lebwohl-Lasher model. Molecules interact only with their nearest neighbors through the pair potential that depends on the molecule…
We consider the Kane-Mele-Hubbard model with a magnetic $\pi$ flux threading each honeycomb plaquette. The resulting model has remarkably rich physical properties. In each spin sector, the noninteracting band structure is characterized by a…
Phenomena taking place in capacitively coupled plasmas with large electrodes and driven at very high frequencies are studied numerically utilizing a novel energy- and charge-conserving implicit fully electromagnetic particle-in-cell / Monte…
We use an elastic model to explore faceting of solid-wall vesicles with elastic heterogeneities. We show that faceting occurs in regions where the vesicle wall is softer, such as areas of reduced wall thicknesses or concentrated in…
Magnetic properties of an Ising bilayer system defined on a honeycomb lattice with non-magnetic interlayers which interact via an indirect exchange coupling have been investigated by Monte Carlo simulation technique. Equilibrium properties…
The Rosenzweig-Porter model has seen a resurgence in interest as it exhibits a non-ergodic extended phase between the ergodic extended metallic phase and the localized phase. Such a phase is relevant to many physical models from the…
This thesis describes the merging of the two fields of Coulomb drag and mesoscopic physics. The thesis presents a theory for Coulomb drag between two mesoscopic systems based on linear-response theory. The formalism expresses the drag in…
We study the charge and spin Seebeck effects in a spin-1 molecular junction as a function of temperature (T), applied magnetic field (H), and magnetic anisotropy (D) using Wilson's numerical renormalization group. A hard-axis magnetic…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
In this work the well-known Frenkel-Mulder phase diagram of hard ellipsoids of revolution [Mol. Phys. 55, 1171 (1985)] is revisited by means of replica exchange Monte Carlo simulations. The method provides good sampling of dense systems and…
We investigate electronic correlation effects on edge states of quantum spin-Hall insulators within the Kane-Mele-Hubbard model by means of quantum Monte Carlo simulations. Given the U(1) spin symmetry and time-reversal invariance, the…
Antiferroelectric liquid crystals can be considered as a promising alternative to nematic mixtures in the area of microdisplays. Switching behaviour of the molecules has been modelled as two adjacent smectic layers. However, some studies…
Recent experiments have reported a novel splay nematic phase, which has alternating domains of positive and negative splay. To model this phase, previous studies have considered a 1D splay modulation of the director field, accompanied by a…
Highly nonlocal interparticle correlations in quantum Hall states of 2D charged system exposed to the perpendicular strong magnetic field are detailed by application of the commensurability condition upon path-integral quantization approach…
The origin of "giant" flexoelectricity, orders of magnitude larger than theoretically predicted, yet frequently observed, is under intense scrutiny. There is mounting evidence correlating giant flexoelectric-like effects with parasitic…
By means of numerical simulations, we explore possible effects of a special interparticle interaction potential which is a function of external and internal conditions of graphene-like systems. In addition to the electromagnetic…
Recent experiments have shown the likely appearance of coherent BEC atom-molecule oscillations in the vicinity of a Feshbach resonance. In addition, a new loss mechanism was observed, whereby the loss of atoms from the BEC is inversely…
On the basis of a general formula obtained earlier via fourth-order erturbation theory within the framework of macroscopic quantum electrodynamics, the van der Waals potential between two neutral, unpolarized, ground-state atoms in the…
We present the results of Monte Carlo simulations of a model of a $\gamma$-Fe$_2$ O$_3$ (maghemite) single particle of spherical shape. The magnetic Fe$^{3+}$ ions are represented by Ising spins on a spinel lattice that consists on two…