Related papers: Doping Induced Spin State Transition in LaCoO3: Dy…
We studied the Co valences and spin states in electron-doped LaCo$_{1-y}$Te$_{y}$O$_3$ by measuring x-ray absorption spectra and electron spin resonance. The low-temperature insulating state involves the low-spin Co$^{3+}$ ($S=0$) and the…
The spin state transition in LaCoO$_3$ has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent Density Functional Theory + Embedded…
We have generalized the dynamical mean-field theory to study the doping dependence of the crossover from antiferromagnetic to short-range order modelled by an incommensurate spin density wave in the Hubbard model. The local selfenergy which…
Magnetic properties of Li$_x$CoO$_2$ for $x = 0.94, 0.75, 0.66$ and $0.51$ were investigated in frames of method combining Generalized Gradient Approximation with Dynamical Mean--Field Theory (GGA+DMFT). We found that a delicate interplay…
The spin transition in LaCoO$_3$ has been investigated within the density-functional theory + dynamical mean-field theory formalism using continuous time quantum Monte Carlo. Calculations on the experimental rhombohedral atomic structure…
The spin transition in LaCoO3 is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the Co 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature induced…
We investigate the spin state of LaCoO3 using state-of-the-art photoemission spectroscopy and ab initio band structure calculations. The GGA+U calculations provide a good description of the ground state for the experimentally estimated…
In this paper a mean-field theory for the spin-liquid paramagnetic non-superconducting phase of the p- and n-type High-$T_c$ cuprates is developed. This theory applied to the effective $t-t'-t''-J^*$ model with the {\it ab initio}…
We use the dynamical mean-field theory to study a p-d Hubbard Hamiltonian for LaCoO3 derived from ab initio calculations in local density approximation (LDA+DMFT scheme). We address the origin of local moments observed above 100 K and…
We present a nonperturbative method for deriving a quasiparticle description of the low-energy excitations in the t-J model for strongly correlated electrons. Using the exact diagonalization technique we evaluated exactly the spectral…
Using numerical techniques we study the spectral function $A(k,\omega)$ of a spin-fermion model for cuprates in the regime where magnetic and charge domains (stripes) are developed upon hole-doping. From $A(k,\omega)$ we study the…
A gradual spin-state transition occurs in LaCoO3 around T~80-120 K, whose detailed nature remains controversial. We studied this transition by means of inelastic neutron scattering (INS), and found that with increasing temperature an…
A fully ab initio scheme based on quantum chemical wavefunction methods is used to investigate the correlated multiorbital electronic structure of a 3d-metal compound, LaCoO3. The strong short-range electron correlations, involving both Co…
The unoccupied electronic states of LaCoO$_3$ and PrCoO$_3$ are studied using room temperature inverse photoemission spectroscopy and \emph{ab initio} GGA+$\emph{U}$ band structure calculations. A fairly good agreement between experiment…
Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…
Our success in description of recent electron-spin-resonance results on Mott insulator LaCoO3, Phys. Rev. B 67 (2003) 172401, lies in taking into account strong electron correlations among d electrons and the relativistic spin-orbit…
Lightly-doped La$_{2-x}$Sr$_x$CuO$_4$ in the so-called "insulating" spin-glass/diagonal-stripe phase has been studied by angle-resolved photoemission spectroscopy. A quasi-particle (QP) peak crossing the Fermi level has been observed in the…
The spin dynamics in single crystal, electron-doped Ba(Fe1-xCox)2As2 has been investigated by inelastic neutron scattering over the full range from undoped to the overdoped regime. We observe damped magnetic fluctuations in the normal state…
We propose a $d$-density wave induced by the spin-orbit coupling in the CuO plane. The spectral function of high-temperature superconductors in the under doped and lightly doped regions is calculated in order to explain the Fermi arc…
We study the doping evolution of spin excitations in a 1D Hubbard model and its downfolded spin Hamiltonians, by using exact diagonalization combined with cluster perturbation theory. In all models, we observe hardening (softening) of spin…