相关论文: Ferroelectricity due to orbital ordering in E-type…

The effect of the Berry phase is included explicitly in the wavefunction describing conduction electrons in a crystal composed of periodically arrayed Jahn-Teller centers that have conically intersecting potential energy surfaces. The Berry…

The microscopic origin of the magnetically-driven ferroelectricity in collinear AFM-E orthorhombic manganites is explained by means of first-principles Wannier functions. We show that the polarization is mainly determined by the "asymmetric…

A general mechanism by which orbital ordering, coupled to Peierls-like lattice distortions, can induce an electronic switchable polarization is discussed within a model Hamiltonian approach in the context of the modern theory of…

Using a joint approach of density functional theory and model calculations, we demonstrate that a prototypical charge ordered half-doped manganite, La$_{1/2}$Ca$_{1/2}$MnO$_3$ is multiferroic. The combination of a peculiar charge-orbital…

By means of density-functional simulations for half-doped manganites, such as pseudocubic Pr0.5Ca0.5MnO3 and bilayer PrCa2Mn2O7, we discuss the occurrence of ferroelectricity and we explore its crucial relation to the crystal structure and…

Although multiferroics have undergone extensive examination for several decades, the occurrence of ferroelectricity induced by orbital order is only scarcely documented. In this study, we propose the existence of spontaneous ferroelectric…

We show that in manganites close to half-doping novel non-bipartite magnetic phases appear due to the interplay between double exchange, superexchange and orbital ordering. In considerable part of the phase diagram the groundstate has a…

A unified theory is developed to explain various types of electronic collective behaviors in doped manganites R$_{1-x}$X$_x$MnO$_3$ (R = La, Pr,Nd etc. and X = Ca, Sr, Ba etc.). Starting from a realistic electronic model, we derive an…

We derive an effective Hamiltonian that takes into account the quantum nature of phonons and models cooperative Jahn-Teller effect in the adiabatic regime and at strong electron-phonon coupling in one dimension. Our approach involves…

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…

The charge order of CE phase in half-doped manganites is studied, based on an argument that the charge-ordering is caused by the Jahn-Teller distortions of MnO6 octahedra rather than Coulomb repulsion between electrons. The uantitative…

The double exchange (DE) model is systematically applied for studying the coupling between ferroelectric (FE) and magnetic orders in several prototypical types of multiferroic manganites. The model was constructed for the magnetically…

With a combined ab initio density functional and model Hamiltonian approach we establish that in the recently discovered multiferroic phase of the manganite Sr$_{1/2}$Ba$_{1/2}$MnO$_{3}$ the polar distortion of Mn and O ions is stabilized…

We study an effective one-dimensional (1D) orbital t-J model derived for strongly correlated e_g electrons in doped manganites. The ferromagnetic spin order at half filling is supported by orbital superexchange prop. to J which stabilizes…

The phase diagram of half-doped manganite systems of formula A_{0.5}A'_{0.5}MnO_3 is investigated within a single-orbital model incorporating magnetic double-exchange and superexchange, together with intersite Coulomb and electron-lattice…

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…

We have analyzed different correlation functions in a realistic spin-orbital model for half-doped manganites. Using a finite-temperature diagonalization technique the CE phase was found in the charge-ordered phase in the case of small…

To understand the orbital ordering of $LaMnO_3$ in the ground state, we study it in the A-type spin antiferromagnetic state. We calculate the two-dimensional response functions associated with the Jahn-Teller $Q_2$ and $Q_3$ distortions and…

We study the ground state orbital ordering of $LaMnO_3$, at weak electron-phonon coupling, when the spin state is A-type antiferromagnet. We determine the orbital ordering by extending to our Jahn-Teller system a recently developed Peierls…

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…