相关论文: Discovering Ferroelectric Plastic (Ionic) Crystals…
The structural, elastic, thermodynamic and thermoelectric characteristics of the $\textrm{CeIr}_\textrm{4} \textrm{P}_\textrm{12}$ skutterudite have been predicted for the first time by applying density functional theory and the…
Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through…
Prediction of properties from composition is a fundamental goal of materials science and can greatly accelerate development of functional materials. It is particularly relevant for ferroelectric perovskite solid solutions where…
After more than a hundred years of development, ferroelectric materials have demonstrated their strong potential to people, and more and more ferroelectric materials are being used in the research of ferroelectric transistors (FeFETs). As a…
The combination of metallicity and ferroelectricity breaks traditional boundaries, paving new avenues for innovative electronic materials and devices. This breakthrough is particularly notable, as metallicity and ferroelectricity have…
For Sn$_2$P$_2$S$_6$ ferroelectrics the second order phase transitions line is observed until reaching the tricritical point at transition temperature lowering to 250 K by compression. Observed temperature-pressure phase diagram agrees with…
Temperature measurements of dielectric permittivity are performed for nonstoichiometric ferroelectric lead germanate Pb$_{4.95}$Ge$_3$O$_{11}$ and multiferroic solid solution [N(C$_2$H$_5$)$_4$]$_2$CoClBr$_3$. Unlike the heat capacity data,…
With the recent experimental verification that ferroelectric lattice distortions survive in the metallic phase of some materials, there is a desire to create devices that are both switchable and take advantage of the novel functionalities…
Recent studies highlight the scientific importance and broad application prospects of two-dimensional (2D) sliding ferroelectrics, which prevalently exhibit vertical polarization with suitable stackings. It is crucial to understand the…
Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent contacts, and thin film transistors. In comparison to oxide…
We demonstrate that ethylammonium copper chloride, (C2H5NH3)2CuCl4, a member of the hybrid perovskite family is an electrically polar and magnetic compound with dielectric anomaly around the Curie point (247 K). We have found large…
Electric polarization typically originates from non-centrosymmetric charge distributions in compounds. In elemental crystalline materials, chemical bonds between atoms of the same element favor symmetrically distributed electron charges and…
Two-dimensional (2D) multiferroics have been casted great attention owing to their promising prospects for miniaturized electronic and memory devices.Here, we proposed a highly stable 2D multiferroic, VOF monolayer, which is an intrinsic…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
We have investigated the magnetic and dielectric properties of orthorhombic Eu$_{1-y}$Y$_y$MnO$_3$ ($0\leq y\leq 0.6$) single crystals without the presence of the 4$f$ magnetic moments of the rare-earth ions. In $y\geq 0.2$, the…
Noncollinear dipole textures greatly extend the scientific merits and application perspective of ferroic materials. In fact, noncollinear spin textures have been well recognized as one of the core issues of condensed matter, e.g.…
A single crystal of lead-zirconate-titanate (PZT), composition Pb(Zr0.80Ti0.20)O3, was studied by polarized-Raman scattering as a function of temperature. Raman spectra reveal that the local structure deviates from the average structure in…
We present a theoretical investigation of the anomalous ferroelectricity of mixed-stack charge transfer molecular crystals, based on the Peierls-Hubbard model, and first principles calculations for its parameterization. This approach is…
The combination of data science and materials informatics has significantly propelled the advancement of multi-component compound synthesis research. This study employs atomic-level data to predict miscibility in binary compounds using…
Hafnium dioxide (HfO2) is a promising ferroelectric (FE) material for achieving high-density nonvolatile memory and neuromorphic computing, due to its compatibility with the mainstream integrated circuit technology and the surprisingly…