相关论文: Buckling induced Zener polaron instability in half…
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…
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 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…
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…
An explanation is given for the charge order, orbital order and insulating state observed in half-doped manganese oxides, such as Nd$_{1/2}$Sr$_{1/2}$MnO$_{3}$. The competition between the kinetic energy of the electrons and the magnetic…
By resonant x-ray scattering at the Mn K-edge on La7/8Sr1/8MnO3, we show that an orbital polaron lattice (OPL) develops at the metal-insulator transition of this compound. This orbital reordering explains consistently the unexpected…
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…
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 Zener polarons recently found in half-doped manganites are usually seen as mixed valence entities ruled by a double exchange Hamiltonian involving only correlated electrons of the metals. They can however be considered as ferrimagnetic…
The exact nature of the low temperature electronic phase of the manganite materials family, and hence the origin of their colossal magnetoresistant (CMR) effect, is still under heavy debate. By combining new photoemission and tunneling…
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…
Based on the Hamiltonian of small polarons with the strong nearest neighbor repulsion, we have investigated the charge ordering phenomena observed in half-doped manganites R_{1/2}A_{1/2}MnO_3. We have explored possible consequences of the…
The metal-insulator transition in manganites is strongly influenced by the concentration of holes present in the system. Based upon an orbitally degenerate Mott-Hubbard model we analyze two possible localization scenarios to account for…
Zero-point spin fluctuations are shown to strongly influence the ground state of ferromagnetic metals and to impose limitations for the fully spin polarized state assumed in half-metallic ferromagnets, which may influence their applications…
The origin of ferromagnetic insulating state of La$_{7/8}$Sr$_{1/8}$MnO$_3$ is investigated. Based on the tight-binding model, it is shown that this state can be attributed to the Peierls instability arisen from the interplay of spin and…
Controlling the ferroelectricity and magnetism in multiferroic materials has been an important research topic. We report the formation of a highly polarized state in multiferroic DyMnO3 single crystals which develops well above the magnetic…
The metal-insulator transition in manganites is strongly influenced by the concentration of holes present in the system. Based upon an orbitally degenerate Mott-Hubbard model we analyze two possible localization scenarios to account for…
We report inelastic neutron scattering results on the spin dynamics in the 50 % hole-doped manganites, Pr{1/2}Sr{1/2}MnO3 and Nd{1/2}Sr{1/2}MnO3. In the paramagnetic phase, these systems exhibit a ridge-type diffuse scattering, indicating a…
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…
The electronic contribution to the magnetically induced polarization in orthorhombic TbMnO3 is studied from first principles. We compare the cases in which the spin cycloid, which induces the electric polarization via the spin-orbit…