相关论文: First-principles study of multiferroic RbFe(MoO$_4…
The magnetoelectric (ME) effects are caused by interactions of the electrical and magnetic subsystems in a solid. Among the applications of ME effects, there are methods of magnetic reversal under the influence of an electrostatic field and…
Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations…
The magnetoelectric behavior of BiFeO$_3$ has been explored on the basis of accurate density functional calculations. The structural, electronic, magnetic, and ferroelectric properties of BiFeO$_3$ are predicted correctly without including…
We report a systematic study of the structure, electric and magnetic properties of Ca$_3$Co$_{2-x}$Mn$_x$O$_6$ single crystals with $x =$ 0.72 and 0.26. The DC and AC magnetic susceptibilities display anomalies with characteristic of the…
Multiferroicity in LiCu2O2 single crystals is studied using resonant soft x-ray magnetic scattering, hard x-ray diffraction, heat capacity, magnetic susceptibility, and electrical polarization. Two magnetic transitions are found at 24.6 K…
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…
Beyond a conventional classification of ferroelectricity, there is a class of materials where electronic degrees of freedom and electronic interactions are directly responsible for electric polarization and ferroelectric transition. This is…
Multiferroics, showing simultaneous ordering of electrical and magnetic degrees of freedom, are remarkable materials as seen from both the academic and technological points of view. A prominent mechanism of multiferroicity is the…
Observation of ferroelectricity among non-d0 systems, which was believed for a long time an unrealistic concept, led to various proposals for the mechanisms to explain the same (i.e. magnetically induced ferroelectricity) during last…
Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$]…
Contribution of d-electron to ferroelectricity of type-II multiferroics causes strong magneto-electric coupling and distinguishes them from the conventional type-I multiferroics. However, their therein polarization is too small because the…
The magnetoelectric coupling effect with profound physics and enormous potential applications has provoked a great number of research activities in materials science. Here, we report that the reversible orbital reconstruction driven by…
We describe the design of a new magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly-insulating…
We have studied the magnetic structure of the ferroelectric frustrated spin-1/2 chain material LiCuVO4 in applied electric and magnetic fields using polarized neutrons. A symmetry and mean-field analysis of the data rules out the presence…
By performing accurate ab-initio density functional theory calculations, we study the role of $4f$ electrons in stabilizing the magnetic-field-induced ferroelectric state of DyFeO$_{3}$. We confirm that the ferroelectric polarization is…
We present a detailed study of complex dielectric constant and ferroelectric polarization in multiferroic LiCuVO4 as function of temperature and external magnetic field. In zero external magnetic field, spiral spin order with an ab helix…
In multiferroic TbMn$_2$O$_5$, the behavior of the terbium ions forms a crucial part of the magneto-electric coupling. The result is a magnetically induced reversal of the electric polarization at 2 T. In this article we present the first…
"Magnetic ferroelectric" has been found in a wide range of spiral magnets. However, these materials all suffer from low critical temperatures, which are usually below 40 K, due to strong spin frustration. Recently, CuO has been found to be…
Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…
Density-functional calculations are carried out to investigate incommensurate magnetic structures and ferroelectric polarization in newly discovered multiferroic material MnI$_2$. The exchange interactions among local moments on Mn are…