相关论文: Recent progress in first-principles studies of mag…

Ferroelectric and ferromagnetic materials possess spontaneous electric and magnetic order, respectively, which can be switched by the corresponding applied electric and magnetic fields. Multiferroics combine these properties in a single…

The magnetic properties of RMn2O5 multiferrroics as obtained by unpolarized and polarized neutron diffraction experiments are reviewed. We discuss the qualitative features of the magnetic phase diagram both in zero magnetic field and in…

It was recently observed that materials showing most striking multiferroic phenomena are frustrated spin-density-wave magnets. We present a simple phenomenological theory, which describes the orientation of the induced electric polarization…

After more than a hundred years of development, ferroelectric materials have demonstrated their strong potential to people, and more and more ferroelectric materials are being used in the research of ferroelectric transistors (FeFETs). As a…

In the last ten years significant advances have been made in our understanding and ability to compute and predict properties of ferroelectrics and piezoelectrics using fundamental physics. Phase diagrams, electromechanical and elastic…

Solid state theory, density functional theory and its generalizations for correlated systems together with numerical simulations on supercomputers allow nowadays to model magnetic systems realistically and in detail and can be even used to…

Multiferroic materials with coupled ferroelectric and ferromagnetic properties are important for multifunctional devices due to their potential ability of controlling magnetism via electric field, and vice versa. The recent discoveries of…

Halide perovskites have been extensively studied as materials of interest for optoelectronic applications. There is a major emphasis on ways to tailor the stability, defect behavior, electronic band structure, and optical absorption in…

The phenomenological theory of ferroelectricity in spiral magnets presented in [M. Mostovoy, Phys. Rev. Lett. 96, 067601 (2006)] is generalized to describe consistently states with both uniform and modulated-in-space ferroelectric…

We introduce a general first-principles methodology for computing electronic structure in a finite uniform magnetic field which allows for an arbitrary rational magnetic flux and nonlocal pseudopotentials, at a comparable time complexity of…

Multiferroics with coexistent ferroelectric and magnetic orders can provide an interesting laboratory to test unprecedented magnetoelectric responses and their possible applications. One such example is the dynamical and/or resonant…

Electrical control of magnetization or magnetic control of polarization offers an extra degree of freedom in materials possessing both electric and magnetic dipole moments viz., magnetoelectric multiferroics. Microstructure with…

First-principles studies of two-dimensional transition metal dichalcogenides have contributed considerably to the understanding of their dielectric, optical, elastic, and vibrational properties. The majority of works to date focus on a…

Materials design based on density functional theory (DFT) calculations is an emergent field of great potential to accelerate the development and employment of novel materials. Magnetic materials play an essential role in green energy…

Composite multiferroics, heterostructures of ferromagnetic (FM) and ferroelectric (FE) materials, are characterized by a remarkable magnetoelectric effect at the interface. Previous work has supported the ferromagnetic structure with…

We present a phenomenological model for magnetoelectricity in multiferroic materials. The distinctive feature of the model is a two-component complex order parameter that encodes the electric polarization, along with a direct coupling…

Thermoelectric materials can achieve direct energy conversion between electricity and heat, thus can be applied to waste heat harvesting and solid-state cooling. The discovery of new thermoelectric materials is mainly based on experiments…

Multiferroic hexagonal rare-earth ferrites (h-RFeO3, R=Sc, Y, and rare earth), in which the improper ferroelectricity and canted antiferromagnetism coexist, have been advocated as promising candidates to pursue the room-temperature…

In this paper, we review some recent work on amorphous materials using current "first principles" electronic structure/molecular dynamics techniques. The main theme of the paper is to emphasize new directions in the use of such ab initio…

Multiferroic materials have received an astonishing attention in the last decades due to expectations that potential coupling between distinct ferroic orders could inspire new applications and new device concepts. As a result, a new…