Related papers: Orbital ordering in LaMnO$_3$: Electron-electron v…
The interaction between electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics, phase transitions, and superconductivity. We present a new…
The Jahn-Teller effect in the charge-ordered (CO) state for La1-xCaxMnO3 (0.5<x<0.87) was studied by measuring the low-temperature powder x-ray diffraction, internal friction, and shear modulus. We find that the electron-lattice interaction…
Orbital-lattice coupled excitation dynamics in orbitally degenerate correlated systems are examined. We present a theoretical framework, where both local vibronic excitations and superexchange-type inter-site interactions are dealt with on…
Motivated by the puzzling report of the observation of a ferromagnetic insulating state in LaMnO$_3$/SrTiO$_3$ heterostructures, we calculate the electronic and magnetic state of LaMnO$_3$, coherently matched to a SrTiO$_3$ square substrate…
Long range orbital order has been investigated in Fe$_{1-x}$Mn$_x$V$_2$O$_4$ as a function of doping (x) using first principles density functional theory calculations including the effects of Coulomb correlation and spin-orbit interaction…
We establish the general form of effective interacting Hamiltonian for LaOFeAs system based on the symmetry consideration. The peculiar symmetry property of the electron states yields unusual form of electron-electron interaction. Based on…
We use the Mott-Littleton approach to evaluate polarisation energies in LaMnO$_3$ lattice associated with holes localized on both Mn$^{3+}$ cation and O$^{2-}$ anion. The full (electronic and ionic) lattice relaxation energy for a hole…
We investigate the magnetic behavior of nuclear spins embedded in a 2D interacting electron gas using a Kondo lattice model description. We derive an effective magnetic Hamiltonian for the nuclear spins which is of the RKKY type and where…
Via mechanisms not accessible at equilibrium, self-propelled particles can form phases with positional order, such as crystals, and with orientational order, such as polar flocks. However, the interplay between these two types of order…
We investigated the $ab$-plane absorption spectra of $R$MnO$%_{3}$ ($R$ = La, Pr, Nd, Gd, and Tb) thin films. As the $R$-ion size decreases, we observed a drastic suppression of the 2 eV peak, \textit{i.e.} the inter-site optical transition…
We found that the conventional model of orbital ordering of 3x^2-r^2/3y^2-r^2 type in the eg states of La_0.5Sr_1.5MnO_4 is incompatible with measurements of linear dichroism in the Mn 2p-edge x-ray absorption, whereas these eg states…
Using muffin-tin orbital (MTO) based NMTO-downfolding procedure within the framework of local density approximation, we construct the Wannier orbitals for the $t_{2g}$ manifold of bands in V2O3 in the paramagnetic phase. The real space…
An orbital ordering occurs in many transition metal compounds with Jahn-Teller ions and plays an important role in these materials. At the same time, exchange interactions in orbitally degenerate systems are inherently frustrated, even in…
The electron-phonon interaction is of central importance for the electrical and thermal properties of solids, and its influence on superconductivity, colossal magnetoresistance, and other many-body phenomena in correlated-electron materials…
We have calculated the discrete low-energy electronic structure in LaMnO3 originating from the atomic-like states of the strongly correlated 3d4 electronic system occurring in the Mn3+ ion. We take into account very strong intra-atomic…
Resonant soft x-ray diffraction has been used to probe the temperature dependent orbital and magnetic structure of $\mathrm{LaSr_{2}Mn_{2}O_7}$. Previous crystallographic studies have shown that this material has almost no MnO$_{6}$ oxygen…
The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase…
Electronic structure calculations of the Verwey ground state of magnetite, Fe3O4, using density functional theory with treatment of on-site Coulomb interactions (DFT+U scheme) are reported. These calculations use the recently-published…
The effect of Jahn-Teller phonons on the magnetic and orbital structure of LaMnO$_3$ is investigated using a combination of relaxation and Monte Carlo techniques on three-dimensional clusters of MnO$_6$ octahedra. In the physically relevant…
Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of…