Related papers: Orbital Ordering in Paramagnetic LaMnO3 and KCuF3
The magnetic phase diagram of the perovskite-type Ti oxides as a function of the GdFeO3-type distortion is examined by using the Hartree-Fock analysis of a multiband d-p Hamiltonian from a viewpoint of competitions of the spin-orbit…
Through a combination of neutron diffraction and Landau theory we describe the spin ordering in the ground state of the quadruple perovskite manganite CaMn7O12 - a magnetic multiferroic supporting an incommensurate orbital density wave that…
We investigate spin-dependent electronic states of antiferromagnetic (AFM) lanthanum chromite (LaCrO$_3$), lanthanum manganite (LaMnO$_3$), and lanthanum ferrite (LaFeO$_3$) using spin-polarized first-principles density functional theory…
In this contribution we derive and discuss energy levels of the strongly-correlated d2 configuration of the V3+ ion (LaVO3) and of d4 configuration of the Mn3+ ion (LaMnO3) in the octahedral surroundings in the presence of the spin-orbit…
We investigate the evolution of spin and orbital order in undoped LaMnO$_3$ under increasing temperature with a model including both superexchange and Jahn-Teller interactions. We used several cluster mean field calculation schemes and find…
Motivated by recent discovery of ferromagnetism in cubic perovskite BaFeO3 under small magnetic field, we investigate spin order in BaFeO3 and isostructual SrFeO3 by the first principles calculation. The on-site Coulomb and exchange…
We have experimentally found related anomalies in electrical resistivity, dc and ac magnetic susceptibility, appearing deeply within ferromagnetically ordered state in SrRuO3. Lack of Jahn-Teller distortion in this regime rules out…
We have studied the phase diagram and excitations of the spin-orbital model derived for a three dimensional perovskite lattice, as in KCuF_3. The results demonstrate that the orbital degeneracy drastically increases quantum fluctuations and…
Ab initio calculations using the APW+lo method as implemented in the WIEN2k code have been used to describe the electronic structure of the quasi-one-dimensional system BaCoO3. Both, GGA and LDA+U approximations were employed to study…
The effective Hamiltonian for perovskite titanates is derived by taking into account the three-fold degeneracy of $t_{2g}$ orbitals and the strong electron-electron interactions. The magnetic and orbital ordered phases are studied in the…
We investigate the electronic, magnetic and orbital properties of La0.5Ca0.5MnO3 perovskite by means of an ab initio electronic structure calculation within the Hartree-Fock approximation. Using the experimental crystal structure reported…
Magnetic resonance in ordered state is shown to be the direct method for distinguishing the orbital ground state. The example of perovskite titanates, particularly, LaTiO3 and YTiO3, is considered. External magnetic field resonance spectra…
We introduce an effective model for $e_g$ electrons to describe three-dimensional perovskite (La$_{1-x}$Sr$_{x}$MnO$_3$ and La$_{1-x}$Ca$_{x}$MnO$_3$) manganites and study the magnetic and orbital order on $4\times 4\times 4$ cluster using…
We study theoretically the electromagnon and its optical spectrum (OS) of the terahertz-frequency regime in the magnetic-spiral-induced multiferroic phases of the rare-earth (R) Mn perovskites, RMnO3, taking into account the elliptical…
Magnetic structures and the relationship between spin and charge-orbital orderings of an A-site ordered double-perovskite manganite SmBaMn2O6, an anticipated multiferroic material, were investigated by means of neutron diffraction. The spin…
Detailed structural measurements were conducted on a new perovskite, ScMnO3, and on orthorhombic LuMnO3. Complementary density functional theory (DFT) calculations were carried out, and predict that ScMnO3 possesses E-phase magnetic order…
Using first-principles calculations based on the density functional theory, we show a strong strain dependence of magnetic order in (LaMnO$_{3}$)$_n$/(SrMnO$_{3}$)$_{2n}$ (001) superlattices with $n=1,2$. The epitaxial strain lifts the…
The spin order in cubic perovskite SrFeO3 and BaFeO3 under high pressure is studied by density functional theory (DFT) calculation with local spin density approximation plus Hubbard U (LSDA+U). At ambient pressure, A-type and G-type helical…
The magnetic structure of the novel Hg$_{0.7}$Na$_{0.3}$Mn$_3$Mn$_4$O$_{12}$, a quadruple manganite perovskite that exhibits a unique $G$-type charge and orbital ordered state distinct to other $A^{2+}$Mn$_3$Mn$_4$O$_{12}$ equivalents ($A$…
Spin wave excitations were measured in the ferromagnetic phase of Nd$_{1/2}$Sr$_{1/2}$MnO$_{3}$ by neutron scattering. This compound is located in proximity to the A-type antiferromagnetic state, and it shows a clear anisotropy and…