Related papers: First Principles Studies of Multiferroic Materials
We use a combination of symmetry analysis and high-throughput density functional theory calculations to search for new ferroelectric materials. We use two search strategies to identify candidate materials. In the first strategy, we start…
The recently discovered multiferroic material CdCr2S4 shows a coexistence of ferromagnetism and relaxor ferroelectricity together with a colossal magnetocapacitive effect. The complex dielectric permittivity of this compound and of the…
A microscopic understanding of magnetoelectricity, i.e. the coupling between magnetic (electric) properties and external electric (magnetic) fields, is a crucial milestone for future generations of electrically-controlled spintronic…
Spintronics, a transformative field of research, leverages the spin of electron to revolutionize electronic devices, offering significant advantages over traditional charge-based systems. This chapter highlights the critical role of novel…
Using density functional theory calculations, ultrathin films of SrVO3(d1) and SrCrO3(d2) on SrTiO3 substrates have been studied as possible multiferroics. Although both are metallic in the bulk limit, they are found to be insulating as a…
We show that the presence of free carriers in a substance can generate the multiferroic behavior. Namely, if the substance has mixed-valence ions, which can supply free carriers and have electric dipole and spin moments, all three types of…
Multiferroic materials are potential to be applied in novel magnetoelectric devices, for example, high-density non-volatile storage. Last decades, research on multiferroic materials was focused on three-dimensional (3D) materials. However,…
We show that charge ordered rare-earth nickelates of the type RNiO3 (R= Ho, Lu, Pr and Nd) are multiferroic with very large magnetically induced ferroelectric (FE) polarizations. This we determine from first principles electronic structure…
A simple but general microscopic mechanism to understand the interplay between the electric and magnetic degrees of freedom is developed. Within this mechanism, the magnetic structure generates an electric current which induce an…
Trirutile-type LiFe$_2$F$_6$ is a charge-ordered material with Fe$^{2+}$/Fe$^{3+}$ configuration. Here its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On…
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…
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)…
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…
Over the years attempts have been made to compensate for the inherent weaknesses in the bulk state of the multiferroic BiFeO3, such as high leakage current and the absence of ferromagnetic correlation, and exploit its magnetoelectric…
Novel phenomena appear when two different oxide materials are combined together to form an interface. For example, at the interface of LaAlO3/SrTiO3, two dimensional conductive states form to avoid the polar discontinuity and magnetic…
Exploring new magnetic materials is essential for finding advantageous functional properties such as magnetoresistance, magnetocaloric effect, spintronic functionality, and multiferroicity. Versatile classes of double perovskite compounds…
We propose that the magnetoelectric effect in multiferroic insulators with coplanar antiferromagnetic spiral order, such as BiFeO$_{3}$, enables electrically controlled dissipationless magnonics. Applying an oscillating electric field in…
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…
The number of magnetoelectric multiferroic materials reported to date is scarce, as magnetic structures that break inversion symmetry and induce an improper ferroelectric polarization typically arise through subtle competition between…
Magnetoelectric multiferroics are highly sought after for applications in low-power electronics and for advancing fundamental research, including axion insulators and dark matter detection. However, achieving a combination of ferroic spin…