Related papers: Magnetically induced electronic ferroelectricity i…
A series of manganites Tb1-xHoxMnO3 (0<=x<=0.6) with orthorhombic structure are synthesized and detailed investigations on their multiferroicity are performed. Successive magnetic transitions upon temperature variation are evidenced for all…
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…
Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form ${\rm (Insulator)/(LaMnO_3)_n/(CaMnO_3)_n/(Insulator)}$ show strong…
Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form ${\rm (Insulator)/(LaMnO_3)_n/(CaMnO_3)_n/(Insulator)}$ show strong…
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)$_6$]…
We consider theoretically the possibility of coexisting ferroelectric and metallic altermagnetic order, which has recently been predicted in insulating and semiconducting systems via ab initio calculations. Solving self-consistently a…
A mechanism for charge-ordered ferromagnetic phase in manganites is proposed. The mechanism is based on the double exchange in the presence of diagonal disorder. It is modeled by a combination of the Ising double-exchange and the…
Multiferroics are compounds in which at least two ferroic orders coexist - typically (anti)ferromagnetism and ferroelectricity. While magnetic order can arise in both insulating and conducting compounds, ferroelectricity is in principle not…
Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase…
We put forward double perovskites of the R$_2$NiMnO$_6$ family (with $R$ a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calculations. We show that changing $R$ from La to Y drives the…
Using the degenerate double exchange Hamiltonian with on-site Coulomb interactions we show that there is an instability towards the displacement of the manganese ion in La_{1-x}Ca_{x}MnO_{3}. The result is a dipole moment due to the charge…
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…
The coupling between ferroelectrics and magnetism presents a promising avenue for low-dissipation spintronic devices. However, such couplings remain rare, and the direct realization of magnetic order driven by ferroelectric switching in…
We show that electronic correlations decimate the intrinsic ferroelectric polarization of the recently discovered class of multiferroic manganites RMn$_2$O$_5$, where R is a rare earth element. Such is manifest from {\it ab initio}…
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…
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…
We have carried out a first-principles theoretical study of the magnetically induced polarization in orthorhombic TbMnO3, a prototypical material in which a cycloidal spin structure generates an electric polarization via the spin-orbit…
Optically-induced phase transitions of the manganite $\rm Pr_{1/3}Ca_{2/3}MnO_3$ have been simulated using a model Hamiltonian, that captures the dynamics of strongly correlated charge, orbital, lattice, and spin degrees of freedom. Its…
Using a combination of Density Functional Theory, mean-field analysis and exact diagonalization calculations we reveal the emergence of a dimerized charge ordered state in TMTTF$_2$-PF$_6$ organic crystal. The interplay between charge and…
Based on a two-dimensional extended Hubbard model with electron-phonon interaction, we have studied the effect of polaron formation on the charge ordering (CO) transition. It is found that for fully ferromagnetically ordered spins the CO…