相关论文: A qualitative test for intrinsic size effect on fe…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
We present a theoretical study of a nanowire made of a three-dimensional topological insulator. The bulk topological insulator is described by a continuum-model Hamiltonian, and the cylindrical-nanowire geometry is modelled by a hard-wall…
We theoretically showed that the spontaneous polarization in ferroelectric (FE) nanowires (NWs) can be considerably enhanced due to the nanosize confinement by the first-principles calculations. The spontaneous polarization along the wire…
We consider a model of a nanocomposite based on non-interacting spherical single-domain ferroelectric nanoparticles of various sizes embedded in a dielectric matrix. The size distribution function of these nanoparticles is selected as a…
We present a simple theory for structural transitions in displacive ferroelectrics of the perovskite type. In our theory, the competition between the elastic energy cost for the displacement of the homopolar ion from the centrosymmetric…
We have proposed the polarization rotation theory to understand the underlying physics of the large piezoelectric effect in ferroelectric crystals by referring to the coherent rotation model in ferromagnetism. When both the electric field…
The theory of size effects of the properties of nanocrystalline ferroelectric ceramic or nanoparticle powder allowing for surface tension and depolarization field is proposed. Surface tension was included into free energy functional and…
For advanced applications in modern industry it is very important to reduce the volume of ferroelectric nanoparticles without serious deterioration of their polar properties. In many practically important cases fixed volume (rather than…
The films of order-disorder type ferroelectrics were considered in the mean field approximation taking into account depolarization field. It was shown that size effects in this system could be described on the base of bulk system equation…
Stable and switchable polarization of ferroelectric materials opens a possibility to electrically control their functional behavior. A particularly promising approach is to employ ferroelectric tunnel junctions where the polarization…
This paper investigates the size effect on the coalescence process of contacting nanoparticles. It is revealed by molecular dynamics that the nanometer-sized surface curvature coupled with the effective melting temperature exhibits a strong…
We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…
We have performed the calculations of the size effect in the temperature dependence of BaTiO3 nanograin ceramics specific heat and dielectric permittivity. We took into account the distribution of the grain sizes, that exists in any real…
Using first-principles calculations, we estimated the impact of large applied electric E fields on the structural, dielectric, and ferroelectric properties of typical ferroelectrics. At large fields, the structural parameters change…
The rotational instability of the electric polarization P during phase transformations between ferroelectric phases is of great practical interest, since it may be accompanied by extremely large values of the piezoelectric coefficient, and…
Van der Waals "sliding" ferroelectric bilayers, whose electric polarization is locked to the interlayer alignment, show promise for future non-volatile memory and other nanoelectronic devices. These applications require a fuller…
In transition metal oxides, quantum confinement arising from a large surface to volume ratio often gives rise to novel physico-chemical properties at nanoscale. Their size dependent properties have potential applications in diverse areas,…
We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…
Some of the Multiferroics [1] form a rare class of materials that exhibit magnetoelectric coupling arising from the coexistence of ferromagnetism and ferroelectricity, with potential for many technological applications.[2,3] Over the last…
To optimize the performance of multifunctional carbon nanotube-ferroelectric devices, it is necessary to understand both the polarization and charge dynamics effects on their transconductance. Directly comparing ferroelectric…