Related papers: A Way to Design Diaelectric Materials
Ferroelectric materials can switch their polarization in response to an applied electric field. In this work, ferroelectricity at the single molecule level is proposed and investigated using density functional theory (DFT) calculations.…
Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…
Fluid molecular ferroelectrics are a new class of organic materials where ferroelectricity is found in conjunction with 3D fluidity whilst still retaining spontaneous polarization values comparable to their traditional solid state…
We report the development of a combined machine-learning and high-throughput density functional theory (DFT) framework to accelerate the search for new ferroelectric materials. The framework can predict potential ferroelectric compounds…
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…
The presence of a switchable spontaneous electric polarization makes ferroelectrics ideal candidates for the use in many applications such as memory and sensors devices. Since known ferroelectrics are rather limited, finding new…
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…
Following the groundbreaking discovery of the ferroelectric nematic liquid crystal phase (NF), a series of closely-related new polar phases have also been found. An especially interesting one is the ferroelectric smectic A phase (SmAF) with…
Since the recent discoveries, ferroelectric nematics became of upmost interest due to their outstanding ferroelectric properties. In this work, we prepared a series of polar molecules revealing a ferroelectric nematic phase (NF) with a very…
Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the…
The recent experimental discovery of ferroelectric and splay nematic phases has sparked interest in comprehending the crucial molecular features necessary to stabilize these innovative structures. This study advances the ongoing discourse…
We investigated the electrical properties of the liquid crystal compound, known as an RM734, exhibiting a ferroelectric nematic phase. The influence of alternating (AC) and direct (DC) current electric fields on the switching process of the…
Materials with reduced dimensions have been shown to host a wide variety of exotic properties and novel quantum states that often defy textbook wisdom1-5. Ferroelectric polarization and metallicity are well-known examples of mutually…
A material showing a sequence of three ferroelectric liquid crystalline phases below the paraelectric nematic phase has been synthesized and studied. The polar order of molecules appearing due to the dipole-dipole interactions in the NF…
Using a free-energy based computational model, we have investigated the response of a system comprising two interacting ferroelectric nanospheres, embedded in a dielectric medium, to a static external electric field. The system response is…
Most properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution. Especially for 2D materials, the atomic electric fields…
A dielectric nonlinear response in model two-phase composites, prepared from a displacive ferroelectric material with a dominant dielectric response due to a single oscillator ferroelectric mode and a dielectric material, is characterized…
Dabconium hybrid perovskites include a number of recently-discovered ferroelectric phases with large spontaneous polarisations. The origin of ferroelectric response has been rationalised in general terms in the context of hydrogen bonding,…
The possibility to combine and finetune properties of functional molecular materials by chemical design is particularly relevant for organic ferroelectrics. In this work, we investigate a class of organic molecular materials that show…
It was recently observed that materials showing most striking multiferroic phenomena are frustrated spin-density-wave magnets. We present a simple phenomenological theory, which describes the orientation of the induced electric polarization…