Related papers: First principle based phase stability in PMN-xPT
The accumulation of boron within the porous nickel ferrite (NiFe2O4, NFO) deposited on fuel rods is a major technological problem with important safety and economical implications. In this work the electronic structure of nickel ferrite is…
The local dynamics of the lead-free relaxor $0.964\mathrm{Na}_{1/2}\mathrm{Bi}_{1/2}\mathrm{TiO}_3-0.036\mathrm{BaTiO}_3$ (NBT-3.6BT) have been investigated by a combination of quasielastic neutron scattering (QENS) and ab initio molecular…
We review some of the current research on two of the ultra-high piezoelectric relaxors Pb(Mg1/3Nb2/3)O3 (PMN) and Pb(Zn1/3Nb2/3)O3 (PZN). The discovery of a monoclinic phase in Pb(Zr1-xTix)O3 (PZT) in 1999 by Noheda et al. forced a…
We study {{\rm C}$_{60}$} with the use of Thomas-Fermi theory. A spherical shell model is invoked to treat the nuclear potential, where the nuclear and core charges are smeared out into a shell of constant surface charge density. The…
The resistivity scaling of metals is a crucial limiting factor for further downscaling of interconnects in nanoelectronic devices that affects signal delay, heat production, and energy consumption. Here, we generalize a commonly considered…
Relaxor ferroelectrics have been a focus of intense attention due to their anomalous dielectric characteristics, diffuse phase transitions, and strong piezoelectricity. Understanding the structure and dynamics of relaxors has been one of…
Previously reported neutron scattering investigations of the canonical relaxor ferroelectric perovskite oxide with a chemical formula Pb(Mg(1/3)Nb(2/3))O3 (PMN) are revisited in order to appreciate the role of the intrinsic bulk…
We study the low-temperature behaviour of the classical Heisenberg antiferromagnet with nearest neighbour interactions on the pyrochlore lattice. Because of geometrical frustration, the ground state of this model has an extensive number of…
We report the investigation of the structural stability of Co$_{(1-x)}$Ni$_x$Si monosilicides for $0<x<1$. As CoSi crystallizes in the FeSi-type structure (B20) and NiSi is stable in the MnP-type structure (B31), a complete set of samples…
Quantum phase transitions (QPTs) have been studied extensively in correlated electron systems. Characterization of magnetism at QPTs has, however, been limited by the volume-integrated feature of neutron and magnetization measurements and…
Recently, energetic variational approach was employed to derive models for non-isothermal electrokinetics by Liu et. al \cite{Liu-Wu-Liu-CMS2018}. In particular, the Poisson-Nernst-Planck-Fourier (PNPF) system for the dynamics of $N$-ionic…
In magnetic confinement fusion devices, the ratio of the plasma pressure to the magnetic field energy, $\beta$, can become sufficiently large that electromagnetic microinstabilities become unstable, driving turbulence that distorts or…
Ferroelectric soft mode in Pb(Mg1/3Nb2/3)O3 (PMN) has been clearly resolved by precision Raman scattering measurements for the first time. A polarization direction of the incident laser was chosen along [110] in cubic configuration in order…
Conformational transitions of a single macromolecule of finite size $N$ cannot be described within standard thermodynamic framework. Taking as a basis a simple model of homopolymer exhibiting a coil-globule transition, we show that a…
We have studied the low-temperature properties of Pr$_{x}$La$_{1-x}$Pb$_{3}$ with non-Kramers $\Gamma_{3}$ quadrupolar moments of the crystal-electric-field ground state, for a wide concentration range of Pr ions. For $x$$\le$0.05, the…
We report localized nonlinear modes of the self-focusing and defocusing nonlocal nonlinear Schroedinger equation with the generalized PT-symmetric Scarf-II, Rosen-Morse, and periodic potentials. Parameter regions are presented for broken…
The potential of mean force (PMF) of a colloidal dispersion under various circumstances of current interest, such as varying solvent quality, polymer coating thickness, and addition of electrostatic interaction is obtained from radial…
The phase behavior of stabilized dispersions of macromolecules is most easily described in terms of the effective interaction between the centers of mass of solute particles. For molecules like polymer chains, dendrimers, etc., the…
As a model of soft confinement for polymers, we investigated equilibrium shapes of a flexible vesicle that contains a phase-separating polymer solution. To simulate such a system, we combined the phase field theory (PFT) for the vesicle and…
A theoretical interpretation is given to recent proton spin relaxation-time (T_1) measurements on NiCu(C_7H_6N_2O_6)(H_2O)_3$\cdot$2H_2O, which is an ideal one-dimensional ferrimagnetic Heisenberg model system of alternating spins 1 and…