相关论文: Recent progress in first-principles studies of mag…
Investigation of magnetooptical characteristics of ferrofluids is an important task aimed at the development of novel optoelectronic systems. This article reports on the results obtained in the experimental studies of the factors that…
Multiferroics are promising for sensor and memory applications, but despite all efforts invested in their research no single-phase material displaying both ferroelectricity and large magnetization at room-temperature has hitherto been…
Axionic electrodynamics predicts many peculiar magnetoelectric-based properties. Hitherto, simple structures such as one-dimensional multilayers were employed to explore these axionic magnetoelectric responses, and Fabry-P\'{e}rot…
We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations…
Magnetoelectric coupling is crucial for uncovering fundamental phenomena and advancing technologies in high-density data storage and energy-efficient devices. The emergence of altermagnets, which unify the advantages of ferromagnets and…
We present a first-principles study of multiferroic BiFeO3 at high pressures. Our work reveals the main structural (change in Bi's coordination and loss of ferroelectricity), electronic (spin crossover and metallization), and magnetic (loss…
Thermomechanical cycles with a ferroelectric working substance convert heat to electrical energy. As shown here, magnetoelectrically coupled ferroelectric/ferromangtic composites (also called multiferroics) add new functionalities and allow…
Magnetoelectric materials have the interesting property of exhibiting polarization induced by a magnetic field or magnetization induced by an electric field. As a consequence, a multitude of effects can be produced by means of controllable…
Multifunctional oxides are promising materials because of their fundamental physical properties as well as their potential in applications1. Among these materials, multiferroics exhibiting ferroelectricity and magnetism are good candidates…
Since the initial isolation of few-layer graphene, a plethora of two-dimensional atomic crystals has become available, covering almost all known materials types including metals, semiconductors, superconductors, ferro- and antiferromagnets.…
We propose a first-principles scheme for the description of the magneto-optical kerr effect within density functional theory (DFT). Though the computation of Kerr parameters is often done within DFT, starting from the conductivity or the…
Multiferroic materials, characterized by the coexisting of ferroelectric polarization (breaking spatial inversion symmetry) and magnetism (breaking time-reversal symmetry), with strong magnetoelectric coupling, are highly sought after for…
We present a plane-wave ultrasoft pseudopotential implementation of first-principle molecular dynamics, which is well suited to model large molecular systems containing transition metal centers. We describe an efficient strategy for…
Prediction of properties from composition is a fundamental goal of materials science and can greatly accelerate development of functional materials. It is particularly relevant for ferroelectric perovskite solid solutions where…
Multiferroic materials provide robust and efficient routes for the control of magnetism by electric fields, which has been diligently sought after for a long time. The two-dimensional (2D) vdW multiferroics is a more exciting endeavour. To…
Magnetoelectric (ME) effect refers to the coupling between electric and magnetic fields in a medium resulting in electric polarization induced by magnetic fields and magnetization induced by electric fields. The linear ME effect in certain…
We present a scheme to construct model potentials, with parameters computed from first principles, for large-scale lattice-dynamical simulations of materials. Our method mimics the traditional solid-state approach to the investigation of…
Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the transition in these materials is a consequence of the coupling…
Two dimensional allotropes of group IV substrates including silicene, germanene and stanene have recently attracted considerable attention in nanodevice fabrication industry. These materials involving the buckled structure have been…
While tremendous success has been achieved to date in creating both single phase and composite magnetoelectric materials, the quintessential electric-field control of magnetism remains elusive. In this work, we demonstrate a linear…