The current-voltage and the conductance-voltage characteristics are analyzed for a particular type of molecular wire embedded between two electrodes. The wire is characterized by internal molecular units where the lowest occupied molecular orbital (LUMO) levels are positioned much above the Fermi energy of the electrodes, as well as above the LUMO levels of the terminal wire units. The latter a...

There is a wild variety of Raman scattering techniques which may be used for characterization of phononphonon and spin-phonon interaction in nanocrystals. For magnetic nanocrystals, Raman microscopy is a useful tool to probe the spin-phonon coupling and exchange energy between antiferromagnetic next-nearestneighboring magnons in nanocrystals below the Néel temperature. This study shows that mul...

Superexchange is one of the vital resources to realize long-range interaction between distant spins for large-scale quantum computing. Recent experiments have demonstrated coherent oscillations logical states defined by remote whose coupling given superexchange mediated central spins. Excavating potential requires a full understanding in terms control parameters, which still lacking literature....

The two orbital Hubbard model, with the electrons additionally coupled to a complex magnetic background, arises in pyrochlore molybdates. background involves local moments Hund's electrons, driving double exchange ferromagnetism, and antiferromagnetic (AF) tendency arising from competing superexchange. key scales include repulsion superexchange, both of which can be tuned these materials. They ...

We report the importance of anisotropic Coulomb interactions in DFT+U calculations electronic and magnetic properties Mn$_3$O$_4$. The effects Mn$^{2+}$ Mn$^{3+}$ are separately examined by defining two different sets Hubbard parameters: $U^{2+}$ $J^{2+}$ for $U^{3+}$ $J^{3+}$ Mn$^{3+}$. have a significant impact on physical Mn$_3$O$_4$ including local moments, canted angle, spontaneous moment,...

The density functional based calculations of the electronic structure of YMnO3 are performed for selected spin configurations and from the differences of the total energies the exchange integrals are determined. To improve the description of strongly correlated 3d electrons of Mn the LDA + U method is employed. The strongest exchange interaction is found between the nearest neighbor Mn spins, t...