The origin of the cooperative Jahn-Teller distortion and orbital order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong Hund's rule coupling between e{g} and t{2g} electrons. To clarify the situation we calculate the transition temperature for the Kugel-Khomskii superexchange ...

A theory of superexchange in the mixed valent layer compound NaV2O5 is presented which provides a consistent description of exchange both in the disordered and charge ordered state. Starting from results of band structure calculations for NaV2O5 first an underlying electronic model for a ladder unit in the Trellis lattice is formulated. By using the molecular orbital representation for intra-ru...

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)MnO3 the polar distortion of Mn and O ions is stabilized via enhanced in-plane Mn-O hybridizations. The magnetic superexchange interaction is very sensitive to the polar bond-bending distortion, and we find that this dependenc...

We investigate the effects induced by ferromagnetic contacts attached to a serial double quantum dot. Spin polarization generates effective magnetic fields and suppresses the Kondo effect in each dot. The superexchange interaction J(AFM), tuned by the interdot tunneling rate t, can be used to compensate the effective fields and restore the Kondo resonance when the contact polarizations are alig...

Resonant quantum tunneling of magnetization has been observed in a hybrid metal-organic framework where an intrinsic magnetic phase separation leads to the coexistence of long-range canted antiferromagnetic order and isolated single-ion quantum magnets. This unusual magnetic phenomenon is well interpreted based on a selective long-distance superexchange model in which the exchange interaction b...

A clear physics picture of TbBaCo2O5.5 is revealed on the basis of density functional theory calculations. An antiferromagnetic (AFM) superexchange coupling between the almost high-spin Co ions competes with a ferromagnetic (FM) interaction mediated by both p-d exchange and double exchange, being responsible for the observed AFM-FM transition. And the metal-insulator transition is accompanied b...

High-resolution resonant inelastic x-ray scattering has been used to determine the momentum dependence of orbital excitations in Mott-insulating LaTiO(3) and YTiO(3) over a wide range of the Brillouin zone. The data are compared to calculations in the framework of lattice-driven and superexchange-driven orbital ordering models. A superexchange model in which the experimentally observed modes ar...