Related papers: Ferroionic states in ferroelectric thin films
Domain walls in ferroelectrics exhibit a plethora of phases and functionalities not found in the bulk. The interplay of electrostatic, chemical, topological, and distortive inhomogeneities at the walls can be so complex, however, that this…
We study coupling between the ferroelectric polarization and magnetization of granular ferromagnetic film using a phenomenological model of combined multiferroic system consisting of granular ferromagnetic film placed above the…
Ferroelectric nematic fluids are promising materials for tunable nonlinear photonics, with applications ranging from second harmonic generation to sources of entangled photons. However, the few reported values of second-order…
We simulate from first-principles the energetic, structural, and electronic properties of ferroelectric domains in ultrathin capacitors made of a few unit cells of BaTiO$_3$ between two metallic SrRuO$_3$ electrodes in short circuit. The…
Hafnia ferroelectrics combine technological promise and unprecedented behaviors. Their peculiarity stems from the many active extrinsic mechanisms that contribute to their properties and from a continuously growing number of novel intrinsic…
The magnetic behavior of thin ferromagnetic itinerant-electron films is investigated within the strongly correlated single-band Hubbard model. For its approximate solution we apply a generalization of the modified alloy analogy (MAA) to…
The ferromagnetic resonance frequencies are obtained for a thin ferromagnetic film with surface anisotropy for the cases when the external magnetic field is applied perpendicularly or parallel to the film surface, and for various…
We examine the application of short-circuit electrical boundary conditions in density functional theory calculations of ferroelectric thin films. Modeling PbTiO$_3$ films with Pt electrodes, we demonstrate that under periodic boundary…
The mechanocaloric effect is the temperature change of a material upon application or removal of an external stress. Beyond its fundamental interest, this caloric response represents a promising and ecofriendly alternative to current…
We investigate the influence of the carrier density and other parameters on the interlayer exchange in magnetic thin film systems. The system consists of ferromagnetic and non-magnetic layers where the carriers are allowed to move from…
SrTiO$_{3}$ is known to be an incipient ferroelectric. It is thought that ferroelectric stability in SrTiO$_{3}$ is suppressed by a delicate competition with quantum fluctuation and antiferrodistortion. The ferroelectric phase can, however,…
Room-temperature ferromagnetism is observed in (110) oriented ZnO films containing 5 at % of Sc, Ti, V, Fe, Co or Ni, but not Cr, Mn or Cu ions. There are large moments, 1.9 and 0.5 muB/atom for Co- and Ti-substituted oxides, respectively.…
Understanding the polarization switching mechanisms at play in ferroelectric materials is crucial for their exploitation in electronic devices. The conventional centrosymmetric reference structure-based mechanism which accounts for…
Ferroelectric hafnium zirconium oxide (HZO) thin films show significant promise for applications in ferroelectric random-access memory, ferroelectric field-effect transistors, and ferroelectric tunneling junctions. However, there are…
Ferroelastic domain walls (DWs) underpin key functionalities in complex oxides. In free-standing ferroic thin films, where elastic interactions are highly thickness dependent, understanding DW behaviour across length scales and external…
Composite materials consisting of coupled magnetic and ferroelectric layers hold the promise for new emergent properties such as controlling magnetism with electric fields. Obviously, the interfacial coupling mechanism plays a crucial role…
Since its discovery, ferroelectric hafnia has been extensively studied due to its CMOS-compatibility and ability to remain polarized at sub-10 nm thicknesses. The ferroelectric behaviour is generally attributed to a polar orthorhombic…
The structural, thermal, and dielectric properties of the ferroelectric phase of HfO$_2$, ZrO$_2$ and Hf$_{0.5}$ Zr$_{0.5}$ O$_2$ (HZO) are investigated with carefully validated density functional computations. We find, that the free bulk…
Ferroelectricity has recently been demonstrated in germanium-based inorganic halide perovskites. We use atomistic first-principles-based simulations to study ultra-thin CsGeBr$_3$ films with thicknesses of 4-18 nm and develop a theory for…
The interfacial screening charge that arises to compensate electric fields of dielectric or ferroelectric thin films is now recognized as the most important factor in determining the capacitance or polarization of ultrathin ferroelectrics.…