Related papers: Specific heat and orbital moment of CoO from first…
We have calculated magnetic properties and the electronic structure of NiO both in the paramagnetic and in magnetically-ordered state as well as zero-temperature properties and thermodynamics within the strongly-correlated crystal-field…
The orbital and spin moment of the Co2+ ion in CoO has been calculated within the quasi-atomic approach with taking into account the intra-atomic spin-orbit coupling. The orbital moment of 1.38 \mu_{B} amounts at 0 K, in the…
CoO has an odd number of electrons in its unit cell, and therefore is expected to be metallic. Yet, CoO is strongly insulating owing to significant electronic correlations, thus classifying it as a Mott insulator. We investigate the…
The total, orbital and spin moment of the Co2+ ion in CoO has been calculated within the quasi-atomic approach with taking into account strong correlations, crystal-field interactions and the intra-atomic spin-orbit coupling. The orbital…
We report the first study of electrical resistivity, magnetization, and specific heat on YbCo$_2$. The measurements on a single-phased sample of YbCo$_2$ bring no evidence of magnetic ordering down to 0.3 K in a zero magnetic field. The…
KCoO2 has been found in 1975 to exist in a unique structure with P4/nmm spacegroup with Co in a square pyramidal coordination with the Co atoms in the plane linked by O in a square arrangement reminiscent of the cuprates but its electronic…
The orbital and spin moment of the Co2+ ion in CoO has been calculated within the quasi-atomic approach with taking into account the intra-atomic spin-orbit coupling and crystal field interactions. The orbital moment of 1.38 m_B amounts at…
Based on experimental 59Co-NMR data in the temperature range between 0.1 and 300 K, we address the problem of the character of the Co 3d-electron based magnetism in Na0.7CoO2. Temperature dependent 59Co-NMR spectra reveal different Co…
We present the results of a study of specific heat on a single crystal of Pr$_{0.63}$Ca$_{0.37}$MnO$_3$ performed over a temperature range 3K-300K in presence of 0 and 8T magnetic fields. An estimate of the entropy and latent heat in a…
We derive a quantum-mechanical formula of the orbital magnetic quadrupole moment (MQM) in periodic systems by using the gauge-covariant gradient expansion. This formula is valid for insulators and metals at zero and finite temperature. We…
Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite TbBaCo2O5.5 in the temperature range of 7-370 K. There have been observed several magnetic or structural transitions. Among these, the…
The electronic specific heat of Kondo insulators in magnetic field is studied for the half-filled Kondo lattice model on simple cubic lattice using a low-temperature theory in Kumar representation. The calculated specific heat is found to…
We have measured the intricate temperature dependence of the Co L2,3 x-ray absorption spectra (2p-3d excitations) of CoO. To allow for accurate total electron yield measurements, the material has been grown in thin film form on a metallic…
We report the thermoelectric transport properties in the orbital-ordered Mott insulating phase of Ca$_2$RuO$_4$ close to and far from equilibrium. Near equilibrium conditions where the temperature gradient is only applied to the sample, an…
The orbital and spin moment of the Ni2+ ion in NiO has been calculated within the quasi-atomic approach. The orbital moment of 0.46 mu_B amounts at 0 K, in the magnetically-ordered state, to about 20% of the total moment (2.45 mu_B). For…
Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method.…
We report a first-principles projector augmented wave (PAW) study on Na$_{0.5}$CoO$_2$. With the sodium ion ordered insulating phase being identified in experiments, pure density functional calculations fail to predict an insulating ground…
The Pr(1-x}CaxMnO3 system exhibits a ferromagnetic insulating state for the composition range x<0.25. A metallic ferromagnetic state is never realized because of the low hole concentration and the very small averaged A-site cation radius.…
We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard corrective functional, we uncover an orbitally ordered…
In this study we examine the phase transitions in single crystals of [(CH3)2NH2]Co(HCOO)3], using magnetization and specific heat measurements as a function of temperature and magnetic field. Magnetisation measurements indicate a transition…