Related papers: Paraelectric and ferroelectric order in two-state …
A double percolation transition is identified in a binary network composed of nanoparticles of magnesium diborade superconductor and chromium oxide half-metallic ferromagnet. Anomalously high-resistance or insulating state, as compared to…
We study from first-principles calculations the ferroelectric structural phase transition of Pb$_5$Ge$_3$O$_{11}$ crystal. The calculations of phonons and Born effective charges of the paraelectric phase allow us to identify a polar…
The proton ordering model for the KH$_{2}$PO$_{4}$ type ferroelectrics is modified by taking into account non-linear effects, namely, the dependence of the effective dipole moments on the proton ordering parameter. Within the four-particle…
Phase transitions in a classical Heisenberg spin model of a chiral helimagnet with the Dzyaloshinskii--Moriya (DM) interaction in three dimensions are numerically studied. By using the event-chain Monte Carlo algorithm recently developed…
We investigate the crystal structure of classical systems of spherical particles with an embedded point dipole at T=0. The ferroelectric ground state energy is calculated using generalizations of the Ewald summation technique. Due to the…
We use large-scale Monte Carlo computations to study the phase transitions of a two-component chiral p-wave superconductor in zero external magnetic field. We find a first order phase transition from the normal state to a chiral…
We study by Monte Carlo simulations the effect of quenched orientational disorder in systems of interacting classical dipoles on a square lattice. Each dipole can lie along any of two perpendicular axes that form an angle psi with the…
Measurements of ferroelectric polarization and dielectric constant were done on $R$Mn$_2$O$_5$ ($R$=Tb, Dy, and Ho) with applied hydrostatic pressures of up to 18 kbar. At ambient pressure, distinctive anomalies were observed in the…
Ferroelectricity in BaTiO3 was observed nearly eighty years ago, but the mechanism underlying its ferroelectric-paraelectric phase transition remains elusive. The order-disorder transition has been recognized as playing a critical role,…
In event-chain Monte Carlo simulations we model colloidal particles in two dimensions that interact according to an isotropic short-ranged pair potential which supports the two typical length scales present in decagonal quasicrystals. We…
The nature of freezing and melting transitions for a system of hard disks in a spatially periodic external potential is studied using extensive Monte Carlo simulations. Detailed finite size scaling analysis of various thermodynamic…
The melting of a binary system of charged particles confined in a {\it quasi}-one-dimensional parabolic channel is studied through Monte Carlo simulations. At zero temperature the particles are ordered in parallel chains. The melting is…
The dipole ordering in Sn(Pb)$_2$P$_2$S(Se)$_6$ materials may be tuned by chemical substitution realizing a ferroelectric quantum phase transition and quantum glassy or relaxor type phenomena on different parts of the phase diagram. The…
Relaxor ferroelectrics exhibit exceptional dielectric and electromechanical properties, yet their microscopic origins remain elusive due to the interplay of hierarchical polar structures and chemical complexity. While models based on polar…
Van der Waals "sliding" ferroelectric bilayers, whose electric polarization is locked to the interlayer alignment, show promise for future non-volatile memory and other nanoelectronic devices. These applications require a fuller…
We use Monte Carlo simulations to investigate the thermodynamical behaviour of aggregates consisting of few superparamagnetic particles in a colloidal suspension. The potential energy surface of this classical two-level system with a stable…
In the study of phase transitions a very few models are accessible to exact solution. In the most cases analytical simplifications have to be done or some numerical technique has to be used to get insight about their critical properties.…
Using molecular dynamics simulation, we study dipolar glass in crystals composed of slightly spheroidal, polar particles and spherical, apolar impurities between metal walls. We present physical pictures of ferroelectric glass, which have…
We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach…
The discovery of fluid states of matter with spontaneous bulk polar order is appreciated as a major discovery in the fields of soft matter and liquid crystals. Typically, this manifests as polar order superimposed atop conventional phase…