相关论文: Intermediate-spin state and properties of LaCoO_3
The electronic structure of epitaxial films on LaCoO3(LCO) has been studied within first principle electronic structure calculations. A spin state transition is found to take place as a function of lattice strain which freezes in the…
We study the structural, magnetic, transport and electronic properties of LaCoO$_3$ with Sr/Nb co-substitution, i.e., La$_{(1-2x)}$Sr$_{2x}$Co$_{(1-x)}$Nb$_{x}$O$_3$ using x-ray and neutron diffraction, dc and ac-magnetization, neutron…
Transport and magnetic measurements and structural and NMR studies have been carried out on (Pr1-yR'y)1-xAxCoO3 {R'=(rare earth elements and Y); A=(Ca, Ba and Sr)} at ambient pressure or under high pressure. The system exhibits a phase…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
We use the LDA+U method to study the possibility of exciton condensation in perovskites of transition metals with $d^6$ electronic configuration such as LaCoO$_3$. For realistic interaction parameters we find several distinct solutions…
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 magnetic moment induced by an external magnetic field of 5.8 T on the Co3+ ions in LaCoO3 has been measured by polarized neutron diffraction. Measurements were made at 100 K, near to the spin-state transition, at 1.5 K and at 285 K. The…
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…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the electronic structure, magnetic state, and structural phase stability of the recently…
4$d$ transition metal oxide (TMO) offers an intriguing puzzle for their electronic and magnetic ground state. They are in the cross-over regime of strong spin orbit interaction (SOI) and electron-electron correlation ($U$) with quenched…
We report a magnetostriction study of a perovskite $\rm{LaCoO}_{3}$ above 100 T using our state-of-the-art strain gauge to investigate an interplay between electron correlations and spin crossover. There has been a controversy regarding…
The structural and magnetic properties of two mixed-valence cobaltites with formal population of 0.30 Co$^{4+}$ ions per f.u., (Pr$_{1-y}$Y$_{y}$)$_{0.7}$Ca$_{0.3}$CoO$_3$ ($y=0$ and 0.15), have been studied down to very low temperatures by…
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…
A powder X-ray diffraction study, combined with the magnetic susceptibility and electric transport measurements, was performed on a series of LnCoO3 perovskites (Ln = Y, Dy, Gd, Sm, Nd, Pr and La) over a temperature range 100 - 1000 K. A…
Magnetization measurements of LaCoO$_{3}$ have been carried out up to 133 T generated with a destructive pulse magnet at a wide temperature range from 2 to 120 K. A novel magnetic transition was found at $B>100$ T and $T>T^{*}=32\pm 5$ K…
Using density functional theory within the LSDA + U method, we investigate the effect of strain on the spin state and magnetic ordering in perovskite lanthanum cobaltite, LaCoO3. We show that, while strain-induced changes in lattice…
We report the structural, magnetic and thermodynamic properties of the double perovskite compound La2CuIrO6 from X-ray, neutron diffraction, neutron depolarization, dc magnetization, ac susceptibility, specific heat, muon-spin-relaxation…
Cobaltates have rich spin-states and diverse properties. Using spin-state pictures and firstprinciples calculations, here we study the electronic structure and magnetism of the mixed-valent double perovskite YBaCo2O6. We find that YBaCo2O6…
In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…
LaCoO$_3$ provides a poignant example of a transition metal oxide where the cobalt cations display multiple spin states and spin transitions and which continues to garner substantial attention. In this work, we describe first principles…