Related papers: Improving the Functional Control of Aged Ferroelec…
Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…
Anomalously large dielectric aging is found in the high-susceptibility plateau ferroelectric regime of ~95% deuterated potassium dihydrogen phosphate (DKDP). Much less aging is found in non-deuterated KDP. Optical images of the DKDP domain…
Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…
Quantitative description of finite-temperature properties of displacive ferroelectrics, and in particular the critical behavior, is of fundamental importance to both theory and device design, going beyond the Landau-Ginzburg approach, which…
Materials undergoing antiferroelectric/ferroelectric (AFE/FE) transitions are studied for possible applications that exploit the large volume, charge and entropy differences between the two states, such as electrocaloric cooling, energy…
Simplifying the constitutive behaviour of a material in terms of the lumped parameter elements is useful to design plant models in control engineering. In this contribution, a lumped parameter modelling approach is used to represent the…
Composite materials comprised of ferroelectric nanoparticles in a dielectric matrix are being actively investigated for a variety of functional properties attractive for a wide range of novel electronic and energy harvesting devices.…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
In this study, we explore the ferroelectric domain structure and mechanical properties of PbTiO$_3$-based membranes, which develops a well-ordered and crystallographic-oriented ripple pattern upon release from their growth substrate. The…
Two-dimensional (2D) multiferroics exhibit cross-control capacity between magnetic and electric responses in reduced spatial domain, making them well suited for next-generation nanoscale devices; however, progress has been slow in…
Ferroelectric vortices formed through complex lattice-charge interactions have great potential in applications for future nanoelectronics such as memories. For practical applications, it is crucial to manipulate these topological states…
Atom probe tomography has been raising in prominence as a microscopy and microanalysis technique to gain sub-nanoscale information from technologically-relevant materials. However, the analysis of some functional ceramics, particularly…
This study examines the application of transition metal-doped SrTiO3 in photovoltaic technologies, such as photocatalysis. The core objective is to evaluate how different dopants influence the structural and electronic characteristics of…
Ferroelectric and multiferroic materials form an important class of functional materials. Over the last twenty years, first-principles-based effective Hamiltonian approaches have been successfully developed to simulate these materials. In…
Fluorite structure ferroelectrics, especially hafnium oxide, are widely investigated for their application in non-volatile memories, sensors, actuators, RF devices and energy harvesters. Due to the metastable nature of the ferroelectric…
A parameterized effective Hamiltonian approach is used to investigate KTaO$_3$. We find that the experimentally observed anomalous dielectric response of this incipient ferroelectric is well reproduced by this approach, once quantum effects…
The ferroelectric property of BaTiO$_3$ crystal arises from the strong Pseudo Jahn-Teller (PJT) interactions between the non-degenerate ground electronic state, $^1A_{1g}$ and the degenerate $^1T_{1u}$ symmetry states through the nuclear…
First-principles modeling of ferroelectric capacitors presents several technical challenges, due to the coexistence of metallic electrodes, long-range electrostatic forces and short-range interface chemistry. Here we show how these aspects…
Complex electrical permittivity measurements in (1-x)[Pb(Mg1/3 Nb2/3)O3]-xPbTiO3 ceramics for 0.10 x 0.40 were performed in the frequency and temperature range from 1 kHz to 100 kHz and from 15 to 600 K, respectively. Unexpected dielectric…
Two-dimensional (2D) multiferroics attract intensive investigations because of underlying science and their potential applications. Although many 2D systems have been observed/predicted to be ferroelectric or ferromagnetic, 2D materials…