arXiv subjects

Jeroen van den Brink

Publications and source records attributed to Jeroen van den Brink.

328 records · Page 19Linked to original sources

arXiv2000

Ab initio calculation of resonant X-ray scattering in Manganites

We study the origin of the resonant x-ray signal in manganites and generalize the resonant cross-section to the band structure framework. With {\it ab initio} LSDA and LSDA+U calculations we determine the resonant x-ray spectrum of LaMnO$_3$. The calculated spectrum and azimuthal angle dependence at the Mn $K$-edge reproduce the measured data without adjustable parameters. The intensity of this signal is directly related to the orthorhombicity of the lattice. We also predict a resonant x-ray signal at the La $L$-edge, caused by the tilting of the MnO$_6$ octahedra. This shows that the resonant x-ray signal in the hard x-ray regime can be understood in terms of the band structure of a material and is sensitive to the fine details of crystal structure.

cond-mat.str-el↗

arXiv1999

Charge and orbital order in half-doped manganites

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 exchange energy drives the formation of effectively one-dimensional ferromagnetic zig-zag chains. Due to a topological phase factor in the hopping, the chains are intrinsically insulating and orbital-ordered. Most surprisingly, the strong Coulomb interaction between electrons on the same Mn-ion leads to the experimentally observed charge ordering. For doping less than 1/2 the system is unstable towards phase separation into a ferromagnetic metallic and charge-ordered insulating phase.

cond-mat.str-el↗

arXiv1998

Orbital dynamics in ferromagnetic transition metal oxides

We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has a full rotational symmetry at orbital degeneracy, and the excitation spectrum derived using the linear spin-wave theory is gapless. The quantum (fluctuation) corrections to the order parameter and to the ground state energy restore the cubic symmetry of the model. By applying a uniaxial pressure orbital degeneracy is lifted in a tetragonal field and one finds an orbital-flop phase with a gap in the excitation spectrum. In two dimensions the classical order is more robust near the orbital degeneracy point and quantum effects are suppressed. The orbital excitation spectra obtained using finite temperature diagonalization of two-dimensional clusters consist of a quasiparticle accompanied by satellite structures. The orbital waves found within the linear spin-wave theory provide an excellent description of the dominant pole of these spectra.

cond-mat.str-el↗

arXiv1998

Double-exchange via degenerate orbitals

We consider the double-exchange for systems in which doped electrons occupy degenerate orbitals, treating the realistic situation with double degenerate $e_g$ orbitals. We show that the orbital degeneracy leads in general to formation of anisotropic magnetic structures and that in particular, depending on the doping concentration, the layered magnetic structures of the A-type and chain-like structures of the C-type are stabilized. The phase-diagram that we obtain provides an explanation for the experimentally observed magnetic structures of some over-doped (electron-doped) manganites of the type Nd$_{1-x}$Sr$_x$MnO$_3$, Pr$_{1-x}$Sr$_x$MnO$_3$ and Sm$_{1-x}$Ca$_x$MnO$_3$ with $x > 0.5$.

cond-mat.str-el↗