Electric dipoles of water molecules, enclosed singly in regularly spaced nanopores of a cordierite crystal, become ordered at low temperature due to their mutual interaction and show the frequency dependence of their dielectric susceptibility, typical for relaxor ferroelectrics, according to recent experimental data. The corresponding phase transition is accompanied by anomalies in thermodynamic quantities, such as heat capacity and dielectric susceptibility, which are calculated here using the Monte Carlo method, and their agreement the experimental data is discussed. Despite the increase in the correlation length, the partially filled dipole lattice at low temperatures, according to the calculations, does not have long-range order and corresponds to a dipole glass. This simulation gives a microscopical insight into the formation of polar nanoregions in relaxor ferroelectrics and the temperature dependence of their size.
Broad-band dielectric spectroscopy, heat capacity measurements and molecular dynamic simulations are applied to study excitations of interacting electric dipoles spatially arranged in a network with an inter-dipole distance of 5-10 A. The dipoles with magnitude of 1.85 Debye are represented by single H2O molecules located in voids (0.5 nm size) formed by ions of the crystal lattice of cordierite. We discover emergence of nontrivial disordered paraelectric phase of dipolar system with signs of phase transition below 3 K.
Theory of Two-Step Magnetic Ordering Phenomena in a Geometrically Frustrated Heisenberg Pyrochlore Antiferromagnet with Long Range Dipolar Interactions
利用平均场论研究了具有交换作用和偶极-偶极相互作用的烧绿石晶格上的海森堡反铁磁体模型。在处理偶极通过使用埃瓦尔德方法，一个软（临界）模式与一个独特的有序波矢量被选择为所有强度的偶极偶极耦合。对于弱偶极子，选择部分有序的三个子晶格自旋结构（P态），其中q_{ord} =（1/2 1/2 1/2）。一个完全有序的四个子晶格自旋结构（F态），q =（000），与P态竞争，并随着温度的降低而成为稳定的结构。我们的结果进行了比较，对其他的理论计算和连接到最近的实验结果Gd 2 Ti 2 O 7进行了讨论。
Long-range ordering of magnetic dipoles in bulk materials gives rise to a broad range of magnetic structures, from simple collinear ferromagnets and antiferromagnets, to complex magnetic helicoidal textures stabilized by competing exchange interactions. In contrast, in the context of dipolar order in dielectric crystals, only parallel (ferroelectric) and antiparallel (antiferroelectric) collinear alignments of electric dipoles are typically considered. Here, we report an observation of incommensurate helical ordering of electric dipoles by light hole-doping of the quadruple perovskite BiMn7O12…
The crystal structure of the MAPbI$_3$ hybrid perovskite forms an intricate electrostatic puzzle with different ordering patterns of the MA molecules at elevated temperatures. For this perovskite three published model Hamiltonians based on the point-dipole (pd) approximation combined with short-range effective interactions are compared to a recently developed machine-learning force field. A molecular order parameter is used to consistently compare the transformation of the anti-ferroelectric ordering in the orthorhombic phase upon raising the temperature. We show that the ground states and the…
Establishing strong electron-correlations not only shed lights on overcoming the trade-off limitations for optimizing thermoelectric materials, but can also introduce new functionalities that extend the vision of conventional thermoelectric applications. Here, we demonstrate that the high thermoelectric and thermistor functionalities coexist in lattice distorted SrNbxTi1-xO3 films with electron correlations between carriers and ordering aligned lattice dipoles. As-grown SrNbxTi1-xO3/SrTiO3 with effectively preserved interfacial strains exhibits cross-plane charge ordering and orbital anisotrop…
The crystal structure of hexagonal-Sr0.6Ba0.4MnO3 allows various competing superexchange interactions, leading to intriguing magnetic properties. Local structural changes modify overlapping between Mn and oxygen ions with temperature. Calculations based on our model spin-Hamiltonian reveal that the dominant linear antiferromagnetic superexchange interaction between the oxygen-linked Mn4+ ions results in short range correlations (SRC), manifesting a smooth drop in magnetization below 325K. Dominance of superexchange interaction changes its allegiance towards the non-linear oxygen-linked Mn-O-Mn…
Comprehensive review of investigations of substances with a small difference in the energies of the ferroelectric and antiferroelectric types of dipole ordering is presented. Detailed analysis of the stability of homogeneous phases and conditions for existence of the inhomogeneous state of the substance containing domains of the coexisting ferroelectric and antiferroelectric phases is presented. It is shown that the interaction of locally separated domains of the ferroelectric and antiferroelectric phases stabilizes an inhomogeneous state of these materials. The analysis of physical phenomena …
Hexagonal Sr0.6Ba0.4MnO3 (SBMO) follows P63/mmc symmetry where MnO6 octahedra are both face-shared (Mn2O9 bi-octahedra) and corner-shared via oxygen anion. It undergoes ferroelectric (FE) and antiferromagnetic (AFM) orderings close to the room temperature. Magnetic properties appear to be governed by intricate exchange interactions among Mn4+ ions within and in adjacent Mn2O9 bi-octahedra, contingent upon the local structural changes. Calculations based on our model spin-Hamiltonian reveal that the dominant linear AFM fluctuations between the Mn4+ ions of two oxygen-linked bi-octahedra result …
Electric-dipole active two-magnon excitation in {\textit{ab}} spiral spin phase of a ferroelectric magnet Gd$_{\textbf{0.7}}$Tb$_{\textbf{0.3}}$MnO$_{\textbf 3}$
Structural Basis for the Anomalously Low Spontaneous Polarisation Values of the Polar Phase of Sr1-xCaxTiO3 (x=0.02, 0.04): Evidence for a Ferrielectric Ordering
Interaction between dipoles often emerges intriguing physical phenomena, such as exchange bias in the magnetic heterostructures and magnetoelectric effect in multiferroics, which lead to advances in multifunctional heterostructures. However, the defect-dipole tends to be considered the undesired to deteriorate the electronic functionality. Here, we report deterministic switching between the ferroelectric and the pinched states by exploiting a new substrate of cubic perovskite, BaZrO$_{3}$, which boosts square-tensile-strain to BaTiO$_{3}$ and promotes four-variants in-plane spontaneous polariz…
