Related papers: On-demand phase-field modeling: Three-dimensional …
To describe the polar properties of the nanosized HfxZr1-xO2-y, we evolve the "effective" Landau-Ginzburg-Devonshire (LGD) model based on the parametrization of the Landau expansion coefficients for the polar and antipolar orderings. We…
The work describes a first-principles-based computational strategy for studying structural phase transitions, and in particular, for determination of the so-called Landau-Devonshire potential - the classical zero-temperature limit of the…
Ferroelectricity in hafnia is often regarded as a breakthrough discovery in ferroelectrics, potentially able to revolutionize the whole field. Despite increasing interests, a comprehensive understanding of the many factors driving the…
Electric field-induced studies, including phase transition and polarization hysteresis, for ferroelectric HfO2 at the atomic scale are critical since they can largely affect its application in ferroelectric and dielectric devices. However,…
We show how to construct Landau-like free energy potentials using a machine-learning approach. For concreteness, we focus on perovskite oxide PbTiO$_{3}$. We work with a training set obtained from Monte Carlo simulations based on an…
We have studied the Devonshire-Landau potential underlying the phase transition sequence of BaTiO3 using the first-principles effective Hamiltonian of Zhong, Vanderbilt, and Rabe [Phys. Rev. Lett. 73, 1861 (1994)], which has been very…
To describe the charge-polarization coupling in the nanostructure formed by a thin Hf$_x$Zr$_{1-x}$O$_2$ film with a single-layer graphene as a top electrode, we develop the "effective" Landau-Ginzburg-Devonshire model. This approach is…
The discovery of ferroelectricity in HfO$_2$-based thin films opens up new opportunities for using this silicon-compatible ferroelectric to realize low-power logic circuits and high-density non-volatile memories. The functional performances…
We study the possibility to apply phenomenological approach to the description of magnetic transitions in UGe2 with the help of Landau free energy expanded to 8-th order in magnetisation. The analysis shows that for certain values of…
The discovery of two-dimensional (2D) ferroelectrics with switchable out-of-plane polarization such as monolayer $\alpha$-In$_2$Se$_3$ offers a new avenue for ultrathin high-density ferroelectric-based nanoelectronics such as ferroelectric…
In the review we briefly analyze the state-of-art in the theory of flexoelectric phenomena and analyze how significantly the flexoelectric coupling can change the polar order parameter distribution in different ferroics and liquid crystals.…
When charged particles are subjected to strong magnetic fields, they form discrete energy levels known as Landau levels. The Landau levels consist of a series of degenerate states of Landau modes, making them a promising platform for…
The effect of the external field on the weakly-discontinuous first-order phase transition is analyzed in the frame of the Landau theory. The transformation of the free energy expansion as a power series in the order parameter is suggested…
A nonlocal Landau-type free energy functional of the spin density is developed to model the large variety of magnetic states which occur in the magnetic field-temperature phase diagram of magnetoelectric CuFeO$_2$. Competition among…
We develop a method combining machine learning (ML) and density functional theory (DFT) to predict low-energy polymorphs by introducing physics-guided descriptors based on structural distortion modes. We systematically generate crystal…
Nanosized hafnia-zirconia HfxZr1-xO2 in the form of thin films, multilayers and heterostructures are indispensable silicon-compatible ferroelectric materials for advanced electronic memories and logic devices. The distinctive feature of…
BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…
Within Landau theory, magnetism and polarity are homotopic, displaying a one-to-one correspondence between most physical characteristics. However, despite widely reported noncollinear magnetism, spontaneous noncollinear electric dipole…
The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of interesting effects it gives rise to. Here we study under what…
The polarization and density modulation associated with antiferroelectric ordering is studied experimentally as a function of temperature in two ferroelectric nematic liquid crystals, the prototypical single compound (DIO) and a commercial…