相关论文: First-Principles Modeling of Ferroelectric Oxide N…
Ferrofluids are typically suspensions of magnetite nanoparticles, and behave as a homogeneous continuum. The production of nanoparticles with a narrow size distribution and the achievement of colloidal stability are important technological…
Understanding the nature of brittle failure in ferroelectric materials is essential, but difficult due to the complex interaction between mechanical and electrical concentrated fields near the crack tip. In this work, an extended…
The formation energies of nanostructures play an important role in determining their properties, including the catalytic activity. For the case of 15 different rutile and 8 different perovskite metal oxides, we find that the density…
Ferroelectric nanoparticles of different shape and their nanocomposites are actively studied in modern physics. Because of their applications in many fields of nanotechnology, the size effects and the possible disappearance of…
Nanomagnets form the building blocks for a gamut of miniaturized energy-efficient devices including data storage, memory, wave-based computing, sensors and biomedical devices. They also offer a span of exotic phenomena and stern challenges.…
The physics of ferroelectric domain walls is explored using the Bayesian inference analysis of atomically resolved STEM data. We demonstrate that domain wall profile shapes are ultimately sensitive to the nature of the order parameter in…
The existence of ferroelectricity in {$\mathrm{BiMnO}_3$} has been a long-standing question for both experimentalists and theorists. In addition to a highly distorted bulk structure, the ionic crystal planes cause a large roughness in thin…
Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…
This study explores the role that the microstructure plays in determining the macroscopic static response of porous elastic continua and exposes the occurrence of position-dependent nonlocal effects that are strictly correlated to the…
Direct electron detectors in scanning transmission electron microscopy give unprecedented possibilities for structure analysis at the nanoscale. In electronic and quantum materials, this new capability gives access to, for example, emergent…
Ferroelectric films usually have phase states and physical properties very different from those of bulk ferroelectrics. Here we propose free-standing ferroelectric-elastic multilayers as a bridge between these two material systems. Using a…
Ferroelectric materials are established candidates for beyond complementary metal-oxide-semiconductor technology, owing to their non-volatile spontaneous electrical polarization. The recent boom in electric dipole texture engineering and…
Composite multiferroics, heterostructures of ferromagnetic (FM) and ferroelectric (FE) materials, are characterized by a remarkable magnetoelectric effect at the interface. Previous work has supported the ferromagnetic structure with…
New emerging disciplines such as Nanoionics and Iontronics are dealing with the exploitation of mesoscopic size effects in materials, which become visible (if not predominant) when downsizing the system to the nanoscale. Driven by the…
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…
Interest in first-principles calculations within the multiferroic community has been rapidly on the rise over the last decade. Initially considered as a powerful support to explain experimentally observed behaviours, the trend has evolved…
This letter addresses basic questions concerning ferroelectric order in positionally disordered dipolar materials. Three models distinguished by dipole vectors which have one, two or three components are studied by computer simulation.…
Macroscopic polarization, both of intrinsic and piezoelectric nature, is unusually strong in III-V nitrides, and the built in electric fields in the layers of nitride-based nanostructures, stemming from polarization changes at…
Polar chiral structures have recently attracted much interest within the scientific community, as they pave the way towards innovative device concepts similar to the developments achieved in nanomagnetism. Despite the growing interest, many…
The remarkable advances achieved in two-dimensional materials are now being directly transposed to low-dimensional oxides. Here we show using first-principles-based atomistic simulations that ultrathin freestanding ferroelectric layers host…