Related papers: Electronic structure, magnetism and spin fluctuati…
Based on the density functional theory, we examine the origin of ferromagnetism in the Weyl semimetal Co$_3$Sn$_2$S$_2$ using different types of response theories. We argue that the magnetism of Co$_3$Sn$_2$S$_2$ has a dual nature and bears…
Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of…
We have studied the magnetic properties of pressure-induced ferromagnet Ca2RuO4 to reveal the uniqueness of the 4d-electron ferromagnetism in the quasi-two-dimensional conductor. The magnetic parameters have been estimated from the…
The electronic structure of the low-temperature (LT) monoclinic magnetite, Fe3O4, is investigated using the local spin density approximation (LSDA) and the LSDA+U method. The self-consistent charge ordered LSDA+U solution has a pronounced…
The electronic spin susceptibility of YBa_2Cu_3O_{6.95} has been measured with high precision up to 24 Tesla with 17O nuclear magnetic resonance. Its temperature dependence can be accounted for by superconducting fluctuations that result in…
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…
We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…
An investigation of possibilities for superconductivity mediated by spin fluctuations in some elementary metals is motivated by the recent discovery of superconductivity in the hcp high-pressure phase of iron. The electronic structure, the…
Motivated by the newly discovered Co-based superconductor Na2CoSe2O, we performed systematic calculations of its electronic band structures using the density functional theory (DFT) plus the dynamical mean-field theory (DMFT) approaches.…
We performed susceptibility, magnetization, specific heat, and single crystal neutron diffraction measurements on single crystalline BaMn$_2$Si$_2$O$_7$. Based on the results, we revisited its spin structure with a more accurate solution…
We present combined spin model and first principles electronic structure calculations to study the weak ferromagnetism in bulk Mn$_3$Z (Z=Sn, Ge, Ga) compounds. The spin model parameters were determined from a spin-cluster expansion…
The quasi-two-dimensional material Sr$_2$RuO$_4$ is a paradigmatic example of a correlated system that exhibits unconventional superconductivity and intriguing magnetic properties. The interplay between these two effects and the resulting…
We investigate the thickness-dependent electronic structure of ultrathin SrIrO$_3$ and discover a transition from a semimetallic to a correlated insulating state below 4 unit cells. Low-temperature magnetoconductance measurements show that…
We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+Hubbard $U$ and local density approximation + dynamic mean…
We have studied a nearly stoichiometric insulating Y$_{0.97(2)}$Cr$_{0.98(2)}$O$_{3.00(2)}$ single crystal by performing measurements of magnetization, heat capacity, and neutron diffraction. Albeit that the YCrO$_3$ compound behaviors like…
In RBaCo4O7 (R = Ca, Y and Rare earth) cobaltite family, only CaBaCo4O7 shows 3D long range ferrimagnetic and spin driven electric polarization properties. In the present study, we have investigated the structural, magnetic and electric…
The crystal structure and magnetic properties of YCo$_5$ compound have been studied by neutron diffraction, in the pressure range $0 \le p \le 7.2 \ GPa$. The experimental data are analyzed together with results from the combined Density…
Ce$_{3}$Bi$_{4}$Au$_{3}$ crystallizes in the same non-centrosymmetric cubic structure as the prototypical Kondo insulator Ce$_{3}$Bi$_{4}$Pt$_{3}$. Here we report the physical properties of Ce$_{3}$Bi$_{4}$Au$_{3}$ single crystals using…
The magnetic structure of (La${}_{1.8}$Eu${}_{0.2}$)CuO${}_4$ has been studied by magnetization measurements of single crystals, which show antiferromagnetic long-range order below $T_N$ = 265 K and a structural phase transition at $T_s$ =…
While both La$_{0.7}$Sr$_{0.3}$MnO$_3$ and La$_{0.7}$Sr$_{0.3}$CoO$_3$ are ferromagnets with metallic conductivity below $T_\mathrm{c}$ (360K and 220K, respectively), partial substitutions of Co by Mn in…