Related papers: Spin state transition in LaCoO3 by variational clu…
A high Seebeck coefficient (S), large electrical conductivity ({\sigma}), and reduced thermal conductivity ({\kappa}) are required to achieve a high figure-of-merit (zT) in an ideal thermoelectric (TE) system, which is challenging in a…
We have studied the electronic structure of BaCoO$_3$ using soft x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, magnetic circular dichroism at the Co-$L_{2,3}$ edges, as well as valence band hard x-ray photoelectron…
LaCoO3 thin films grown under epitaxial tensile strain exhibit a robust ferromagnetic insulating state that is absent in the bulk. Despite many studies, both experimental and computational, the microscopic origin of this phenomenon is not…
The spin excitations in the antiferromagnetic phase of half-filled Kondo lattice model are studied by means of the decoupling approximation for spin Green's function. The spin-wave spectrum is calculated as a function of Kondo coupling, and…
Optical absorption and transverse Kerr effect spectra, resistivity and magnetoresistance of La$_{1-x}$Sr$_{x}$CoO$_3$ ($x=0.15, 0.25, 0.35$) films have been studied. The temperature dependencies of the optical and magneto-optical properties…
Spin orbit coupling plays a non-perturbation effect in many recently developed novel fields including topological insulators and spin-orbit assistant Mott insulators. In this paper, strongly temperature-dependent spin orbit coupling,…
Raman scattering experiments on stoichiometric, Mott-insulating LaTiO$_3$ over a wide range of excitation energies reveal a broad electronic continuum which is featureless in the paramagnetic state, but develops a gap of $\sim 800$…
Motivated by recent observation of magnetic field induced transition in LaCoO3 we study the effect of external field in systems close to instabilities towards spin-state ordering and exciton condensation. We show that, while in both cases…
Optical responses in an excitonic insulating (EI) system with strong electron correlation are studied. We adopt the two-orbital Hubbard model with a finite energy difference between the two orbitals where the spin state degree of freedom…
The origin of insulating ferromagnetism in epitaxial LaCoO3 films under tensile strain remains elusive despite extensive research efforts have been devoted. Surprisingly, the spin state of its Co ions, the main parameter of its…
In an attempt to explain inelastic neutron scattering data for LiV2O4 the dynamical spin susceptibility \chi(Q,w) at zero temperature is calculated. Starting point is a weak coupling approach based on the LDA bandstructure for that…
The spin states and electronic structure of layered perovskite La1.5Ca0.5CoO4 are investigated using fullpotential linearized augmented plane-wave method. All the computational results indicate that the Co2+ ion is in a high-spin state and…
Using linear response theory with the dynamical mean-field approximation we investigate the particle-hole instabilities of the two-band Hubbard model in the vicinity of the spin-state transition. Besides the previously reported…
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…
Hole and electron doped LaCoO3 is studied using dynamical mean-field theory. The one-particle spectra are analyzed and compared to the available experimental data, in particular the x-ray absorption spectra. Analyzing the temporal spin-spin…
The two dimensional electron gas formed between the two band insulators SrTiO3 and LaAlO3 exhibits a variety of interesting physical properties which make it an appealing material for use in future spintronics and/or quantum computing…
We present the results of an LDA and LDA+U band structure study of the monoclinic and the corundum phases of V2O3 and argue that the most prominent (spin 1/2) models used to describe the semiconductor metal transition are not valid.…
Magnetization and x-ray diffraction have been measured on polycrystalline samples of LaCo$_{0.8-y}$Rh$_{0.2}$Ga$_{y}$O$_{3}$ for $0 \leq y \leq 0.15$ in order to understand the spin state of Co$^{3+}$ through the Ga$^{3+}$ substitution…
We report on a 59Co NMR investigation of the trigonal cobaltate Ca3Co2O6 carried out on a single crystal, providing precise determinations of the electric field gradient and chemical shift tensors, and of the internal magnetic fields at the…
\lco{} is known for its two-step spin crossover as a function of temperature. Despite efforts spanning over half a century, the origin of this phenomenon is still debated, particularly regarding how the microscopic spin states are involved…