Related papers: A compositional ordering-driven morphotropic phase…
An ab initio study of the electronic structures of solid metallotetrabenzoporphyrins (MTBPs) utilized in organic transistors and photovoltaics is presented. Bandstructures, densities of states, and orbitals are calculated for H2, Cu, Ni,…
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Cl, we investigate magnetic and charge-ordered phases that emerge in an…
Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…
Ferroic multipole orders break some symmetry and often activate unique physical properties, such as nonreciprocal directional dichroism and linear magnetoelectric effects. Here, we demonstrate the control of magnetic toroidal orientation in…
Phase diagram of solid solutions of antiferroelectric and ferroelectric materials like PbZr$_{1-x}$Ti$_x$O$_3$ (PZT), Rb$_x$(NH$_4$)$_{1-x}$H$_2$PO$% _4$ (RADP) is calculated at the region $x\leq 0.1$. Antiferroelectric and ferroelectric…
We introduce antiferroelectric topological insulators as a new class of functional materials in which an electric field can be used to control topological order and induce topological phase transitions. Using first principles methods, we…
Toroidal order, given by a composite of electric and magnetic orders, manifests itself not only in the peculiar magnetism but also in anomalous transport and magnetoelectric effect. We report our theoretical results on the influence and…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
A stochastic model of electric field-driven polarization reversal in orthorhombic ferroelectrics is advanced, providing a description of their temporal electromechanical response. The theory accounts for all possible parallel and sequential…
Relaxor ferroelectrics are applied in electronic devices such as actuators and sonars. Morphotrophic phase boundaries (MPBs) with monoclinic structures are known for their high piezoelectricity and electromechanical coupling factors in…
We study magnetic state and electron transport properties of composite multiferroic system consisting of a granular ferromagnetic thin film placed above the ferroelectric substrate. Ferroelectricity and magnetism in this case are coupled by…
We explore proximity-induced ferromagnetism on transition metal dichalcogenide (TMD), focusing on molybdenum ditelluride (MoTe$_{2}$) ribbons with zigzag edges, deposited on ferromagnetic europium oxide (EuO). A three-orbital tight-binding…
Orbital angular momentum and torque transfer play central roles in a wide range of magnetic textures and devices including skyrmions and spin-torque electronics(1-4). Analogous topological structures are now also being explored in…
Within the broad class of multiferroics (compounds showing a coexistence of magnetism and ferroelectricity), we focus on the subclass of "improper electronic ferroelectrics", i.e. correlated materials where electronic degrees of freedom…
Under a sufficiently high applied electric field, a non-polar antiferroelectric material, such as \ce{PbZrO3}, can undergo a rapid transformation to a polar ferroelectric phase. While this behavior is promising for energy storage and…
The search for a superconductor with non-s-wave pairing is important not only for understanding unconventional mechanisms of superconductivity but also for finding new types of quasiparticles such as Majorana bound states. Materials with…
The complex elastic compliance and dielectric susceptibility of (Na_{0.5}Bi_{0.5})_{1-x}Ba_{x}TiO_{3} (NBT-BT) have been measured in the composition range between pure NBT and the morphotropic phase boundary included, 0 <= x <= 0.08. The…
Piezoelectric materials have wide sensing and energy transduction applications due to their inherent coupling of mechanical deformation and electric field. Recent discoveries have revealed that asymmetric or heterogeneous microstructures of…
We present here the results of structural studies on multiferroic (1-x)Bi(Ni1/2Ti1/2)O3-xPbTiO3 solid solution using Rietveld analysis on powder x-ray diffraction data in the composition range 0.35 to 0.55. We have determined precisely the…
Ferroelectric materials with switchable spontaneous polarization underpin non-volatile memories, transistors, sensors, and emerging neuromorphic chips. Their performance and stability are governed by polarization dynamics and domain…