相关论文: Ferromagnetism and orbital order in a topological …

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…

In this contribution to the special issue on multiferroics we focus on multiferroicity driven by different forms of charge ordering. We will present the generic mechanisms by which charge ordering can induce ferroelectricity in magnetic…

The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity…

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…

Starting from a spin-orbital model for doped manganites, we investigate a competition between ferromagnetic and antiferromagnetic order in a one-dimensional model at finite temperature. The magnetic and orbital order at half filling support…

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…

We show that a superstructure of antiferromagnetically interacting Fe$^{3+}$ ($S=5/2$) ions in double perovskites AFe$_{1/2}$M$_{1/2}$O$_{3}$ exhibits a ferrimagnetic ordering below $T_{fe} \approx 5.6J_1$ ($J_1/k_B \sim 50$~K), which is…

Using NMTO-{\it downfolding} technique, we explore and establish the origin of ferromagnetism in the pyrochlore system, Tl$_{2}$Mn$_{2}$O$_{7}$. It is found to be driven by hybridization induced spin-polarization of the delocalized charge…

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…

We analyzed the possible magnetic and orbital orderings of double perovskites, using a simple extension of the double exchange model well suited for these compounds. Orbital ordering is favored by the on site repulsion at the Fe ions. We…

Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V4+ species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic…

The conditions under which ferromagnetism may occur in transition metal oxides with partially filled $t_{2g}$ shells such as vanadium-based perovskites are studied using a combination of density functional and single-site dynamical mean…

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…

Doping ferroelectrics with carriers is often detrimental to polarization. This makes the design and discovery of metals that undergo a ferroelectric-like transition challenging. In this letter, we show from first principles that the oxygen…

We report \emph{ab initio} predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO$_{3}$ doped with vanadium. V impurities coupled ferromagnetically carry a magnetization of 1 $\mu_{\rm B}$…

Realization of ferromagnetic ferroelectricity, combining two ferroic orders in a single phase, is the longstanding problem of great practical importance. One of the difficulties is that ferromagnetism alone cannot break inversion symmetry…

A dielectric anomaly has been found near the incommensurate to commensurate antiferromagnetic phase transition (TN2=230 K) in YBaCuFeO5 ceramics, a compound which crystallizes in an ordered perovskite structure. The existence of electric…

In addition to the well known ferromagnetism, double perovskites are also expected to exhibit antiferromagnetic (AF) order driven by electron delocalisation. This has been seen in model Hamiltonian studies and confirmed via ab initio…

The microscopic coexistence of ferroelectricity and ferromagnetism in solids remains a fundamental challenge in condensed matter physics, with far-reaching implications for multifunctional materials and next-generation electronic devices.…

The existence of high-temperature ferromagnetism in thin films and nanoparticles of oxides containing small quantities of magnetic dopants remains controversial. Some regard these materials as dilute magnetic semiconductors, while others…