相关论文: A morphotropic phase boundary system based on pola…
Higher-order topological phases (HOTPs) host exotic topological states that go beyond the traditional bulk-boundary correspondence. Up to now, there is still a lack of experimentally measurable momentum-space topological characterization…
The description of the proximity effect in superconducting/ferromagnetic heterostructures requires to use spin-dependent boundary conditions. Such boundary conditions must take into account the spin dependence of the phase shifts acquired…
To address the effects of lattice anharmonicity across the perovskite to post-perovskite transition in MgSiO$_3$, we conduct calculations using the phonon quasiparticle (PHQ) approach. The PHQ is based on \textit{ab initio} molecular…
A variety of electrostatic phenomena, including the structure of electric double layers and the aggregation of charged colloids and proteins, are affected by nonuniform electric permittivity. These effects are frequently ignored in…
Based on {\em ab initio} density functional calculations, we propose $\gamma$-P and $\delta$-P as two additional stable structural phases of layered phosphorus besides the layered $\alpha$-P (black) and $\beta$-P (blue) phosphorus…
Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…
A nanowire with its two ends fixed at two different temperatures by external baths is the simplest example of a fermionic system with a temperature inhomogeneity, and could be an easy platform to study thermodynamic and transport properties…
The three primary ferroics, namely ferromagnets, ferroelectrics and ferroelastics exhibit corresponding large (or even giant) magnetocaloric,electrocaloric and elastocaloric effects when a phase transition is induced by the application of…
Polaritons in polar biaxial crystals with extreme anisotropy offer a promising route to manipulate nanoscale light-matter interactions. The dynamical modulation of their dispersion is great significance for future integrated nano-optics but…
The lattice spin model, with nearest neighbor ferromagnetic exchange and long range dipolar interaction, is studied by the method of time series for observables based on cluster configurations and associated partitions, such as Shannon…
We study the dependence of the phase behavior of ternary amphiphilic systems on composition and temperature. Our analysis is based on a curvature elastic model of the surfactant film with sufficiently large spontaneous curvature and…
The FMR linewidth and its anisotropy in F$_1$/f/F$_2$/AF multilayers, where spacer f has a low Curie point compared to the strongly ferromagnetic F$_1$ and F$_2$, is investigated. The role of the interlayer exchange coupling in…
The spin and orbital phase diagram for perovskite manganites are investigated as a function of temperature and hole concentration. The superexchange and double exchange interactions dominate the ferromagnetic phases in the low and high…
We present a generalization of the Maier-Saupe (MS) theory that incorporates the description of the ferroelectric nematic phase (NF) within its scope of application. The extension of the theory is carried out in a natural way, by adding to…
Ferroic transition metal oxides, which exhibit spontaneous elastic, electrical, magnetic or toroidal order, exhibit functional properties that find use in ultrastable solid-state memories to sensors and medical imaging technologies. To…
We present a strategy to design structures for which a polar lattice distortion induces weak ferromagnetism. We identify a large class of multiferroic oxides as potential realizations and use density-functional theory to screen several…
Phase diagrams serve as a highly informative tool for materials design, encapsulating information about the phases that a material can manifest under specific conditions. In this work, we develop a method in which Bayesian inference is…
Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first-principles calculations, we reveal the first example of spontaneous electrical polarization and ferroelectricity in stable…
We consider quantum Heisenberg ferro- and antiferromagnets on the square lattice with exchange anisotropy of easy-plane or easy-axis type. The thermodynamics and the critical behaviour of the models are studied by the pure-quantum…
(1-x)Li0.12Na0.88NbO3-xBaTiO3 (0 to x to 0.40) ferroelectric ceramics were prepared using conventional ceramics route and their phase transitional behavior is investigated by using dielectric spectroscopy. The temperature-dependent…