Related papers: First-principles studies of multiferroic and magne…
We study the electrical behavior of multiferroic BiFeO$_3$ by means of first-principles calculations. We do so by constraining a specific component of the electric displacement field along a variety of structural paths, and by monitoring…
Antiferromagnetic spintronics is an emerging research field whose focus is on the electrical and optical control of the antiferromagnetic order parameter and its utility in information technology devices. An example of recently discovered…
We theoretically study origins of the ferroelectricity in the multiferroic phases of the rare-earth (R) Mn perovskites, RMnO3, by constructing a realistic spin model including the spin-phonon coupling, which reproduces the entire…
Magnetoelectric multiferroic materials, particularly with the perovskite structure, are receiving a lot of attention because of their inherent coupling between electrical polarization and magnetic ordering. However, very few types of direct…
Couplings between ferroelectric and magnetic orders offer promising routes toward low-dissipation electronics. However, such couplings are notably rare, largely due to the poor compatibility between insulating band structures and…
Polar metals are defined by the coexistence of metallicity and polar crystal structure. They have potential applications in non-linear optics, ferroelectric devices, and quantum devices. Meanwhile, ferroelectric-ferromagnetic (FE-FM)…
There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are…
Extrinsic multiferroic hybrid structures consisting of ferromagnetic and ferroelectric layers elastically coupled to each other are promising due to their robust magnetoelectric effects even at room temperature. For a quantitative analysis…
The interplay of electricity and magnetism, one of the cornerstones of modern physics, takes a special form in solids in such phenomena as magnetoelectricity and the possibility of multiferroic behaviour. In this paper I give a short survey…
Magnetism and nematic order are the two non-superconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models…
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise…
Many technological applications of multiferroics are based on their ability to reconstruct the domain structure (DS) under the action of small external fields. In the present paper we analyze the different scenarios of the DS behavior in a…
We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…
Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…
We investigate the phase diagrams of RMn$_2$O$_5$ via a first-principles effective-Hamiltonian method. We are able to reproduce the most important features of the complicated magnetic and ferroelectric phase transitions. The calculated…
A theoretical description of the sequence of magnetic phases in Co3TeO6 is presented. The strongly first-order character of the transition to the commensurate multiferroic ground state, induced by coupled order parameters corresponding to…
Two-dimensional (2D) multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with potential applications. We employed first-principles density…
The demand for high-density storage is urgent in the current era of data explosion. Recently, several single-molecule (-atom) magnets/ferroelectrics have been reported to be promising candidates for high-density storage. As another…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
We carry out a completely first-principles study of the ferroelectric phase transitions in BaTiO$_3$. Our approach takes advantage of two features of these transitions: the structural changes are small, and only low-energy distortions are…