Related papers: Correlation-driven electronic multiferroicity in (…
In this letter, we report the structural, electronic and ferroelectric properties of the layered mixed-valent transition-metal compound, Sr$_{4}$Fe$_{6}$O$_{12}$ (SFO). We demonstrate how SFO undergoes a phase transition from a…
Although the magnetoelectric effects - the mutual control of electric polarization by magnetic fields and magnetism by electric fields, have been intensively studied in a large number of inorganic compounds and heterostructures, they have…
Charge-ordering phenomena have been highly topical over the last few years. A phase transition towards a charge ordered state has been observed experimentally in several classes of materials. Among them, many studies have been devoted to…
The magnetic, thermodynamic, and pyroelectric properties of LiFeP$_2$O$_7$ single crystals are investigated with emphasis on the magnetoelectric interaction of the electrical polarization with the magnetic order parameter. The magnetic…
We study theoretically the multiferroic dynamics in a composite one-dimensional system consisting of BaTiO3 multiferroically coupled to an iron chain. The method treats the magnetization and the polarization as thermodynamic quantities…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Antiferromagnets offer an attractive platform for spintronics due to their absence of net magnetization and ultrafast spin dynamics, yet their intrinsically spin-compensated electronic structure has traditionally limited their active role…
By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An accurate comparison between monoclinic ferroelectric Cc and…
Multiferroics are materials with coexisting electric and magnetic orders that are of central importance for fundamental research and technological applications. Unfortunately, intrinsic multiferroics that operate at room temperature remain…
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…
We study the artificial molecular states formed in laterally coupled double semiconductor nanorings by systems containing one, two and three electrons. An interplay of the interring tunneling and the electron-electron interaction is…
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…
Magnetic, dielectric and calorimetric studies on 0.9BiFeO3-0.1BaTiO3 indicate strong magnetoelectric coupling. XRD studies reveal a very remarkable change in the rhombohedral distortion angle and a significant shift in the atomic positions…
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…
This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…
Recently, we predicted based on symmetry considerations that KMnFeF$_{6}$ and Ba$_{2}$Ni$_{7}$F$_{18}$ are likely magnetoelectric multiferroic materials. In this contribution, we investigate with Landau theory and crystal structure…
Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…
The relationship between magnetic order and ferroelectric properties has been investigated for MnWO$_4$ with long-wavelength magnetic structure. Spontaneous electric polarization is observed in an elliptical spiral spin phase. The…
Materials exhibiting electronic inhomogeneities at the nanometer scale have enormous potential for applications. Magnetic polarons are one such type of inhomogeneity which link the electronic, magnetic and lattice degrees of freedom in…
We report $\alpha$-Cu$_2$V$_2$O$_7$ to be an improper multiferroic with the simultaneous development of electric polarization and magnetization below $T_C$ = 35 K. The observed spontaneous polarization of magnitude 0.55 $\mu$Ccm$^{-2}$ is…