Related papers: Recent progress in first-principles studies of mag…
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…
Multiphase magnetic systems are common in nature and are increasingly being recognized in technical applications. One characterization method which has shown great promise for determining separate and collective effects of multiphase…
We calculate the exact analytical solution to the domain wall properties in a multiferroic system with two order parameters that are coupled bi-quadratically. This is then adapted to the case of a magnetoelectric multiferroic material such…
We propose a dynamical mean field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean field theory, which enables one to treat…
Autferroics, recently proposed as a sister branch of multiferroics, exhibit strong intrinsic magnetoelectricity, but ferroelectricity and magnetism are mutually exclusive rather than coexisting. Here, a general model is considered based on…
Electric field induced magnetization switching in single-phase multiferroic materials is intriguing for both fundamental studies and potential technological applications. Here we develop a framework to study the switching dynamics of…
Multiferroic materials have garnered wide interest for their exceptional static and dynamical magnetoelectric properties. In particular, type-II multiferroics exhibit an inversion-symmetry-breaking magnetic order which directly induces a…
Two-dimensional (2D) ferroelectrics and multiferroics have attracted considerable scientific and technological interest in recent years due to the increasing demands for miniaturization and low energy consumption of electronic devices. At…
The magnetoelectric effects in multiferroics have a great potential in creating next-generation memory devices. We conceive a new concept of non-volatile memories based on a type of nonlinear magnetoelectric effects showing a…
Materials science has been intensively developed during the last 30 years. This is due, on the one hand, to an increasing demand of new materials for new applications and, on the other hand, to technological progress which allows for the…
The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multi-state data storage. Although multiferroics have been broadly…
Ferrites, magnetic materials primarily composed of iron oxides, exhibit diverse magnetic behaviors, including diamagnetism, paramagnetism, ferromagnetism, antiferromagnetism, ferrimagnetism, and superparamagnetism. This paper explores the…
In the first of two articles, we present here a novel mesoscopic micromagnetic approach for simulating materials composed of ferromagnetic and antiferromagnetic phases. Starting with the atomistic modeling of quasi one-dimensional systems,…
We introduce a first-principles method for predicting the magnetothermal properties of solid-state materials, which we call Sampled Effective Local Field Estimation. This approach achieves over two orders of magnitude improvement in sample…
We used first-principles methods to perform a systematic search for potentially-stable phases of multiferroic BiFeO3. We considered a simulation cell compatible with the atomic distortions that are most common among perovskite oxides, and…
Magnetic refrigeration based on the magnetocaloric effect (MCE) of materials is a potential technique that has prominet advantages over the currently used gas compression-expansion technique in the sense of its high efficiency and…
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…
Recent data reported on the magneto-electric coupling,{\alpha}, of hexaferrite materials is very high, and they have the potential to impact future technologies in a major way. The fundamental question addressed in this paper is what does…
We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-density and generalized-gradient approximations to exchange and…
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of…