Related papers: Electron interactions, spin-orbit coupling, inters…
We investigate magnetic excitations in iridium insulators with pentavalent Ir$^{5+}$ ($5d^4$) ions with strong spin-orbit coupling. We obtain a microscopic model based on the local Ir$^{5+}$ multiplets involving $J=0$ (singlet), $J=1$…
The spin dynamics in the geometrically frustrated pyrochlore antiferromagnet $\rm Gd_2Sn_2O_7$ is studied by means of the electron spin resonance. In the ordered phase ($T_N = 1$ K), we have detected three gapped resonance modes. Their…
In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as…
We report the structure and magnetic properties of a new iridate compound, SrxLa11-xIr4O24, where the d-electron count of Ir and therefore its number of unpaired electrons can be tuned continuously from 5d5 Ir4+ to 5d4 Ir5+, i.e. from…
Physical properties of a pyrohafnate compound Pr2Hf2O7 have been investigated by ac magnetic susceptibility \chi_ ac(T), dc magnetic susceptibility \chi(T), isothermal magnetization M(H) and heat capacity C_p(T) measurements on…
We study the effects of magnetoelastic couplings on pyrochlore antiferromagnets. We employ Landau theory, extending an investigation begun by Yamashita and Ueda for the case of S=1, and semiclassical analyses to argue that such couplings…
The intrinsic noncollinear spin patterns in rare-earth pyrochlore are physically interesting, hosting many emergent properties, e.g. spin ice and monopole-type excitation. Recently, the magnetic monopole excitation of spin ice systems was…
Recent experiments suggest that the Ising pyrochlore magnets ${\rm Ho_{2}Ti_{2}O_{7}}$ and ${\rm Dy_{2}Ti_{2}O_{7}}$ display qualitative properties of the spin ice model proposed by Harris {\it et al.} \prl {\bf 79}, 2554 (1997). We discuss…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…
Topological insulators are found in materials that have elements with strong spin orbit interaction. However, electron Coulomb repulsion also potentially generates the topological insulators as well as Chern insulators by the mechanism of…
Frustration in magnetic systems is fertile ground for complex behaviour, including unconventional ground states with emergent symmetries, topological properties, and exotic excitations. A canonical example is the emergence of…
Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…
Resonant inelastic X-ray scattering measurements reveal robust magnetic excitations in the perovskite iridates SrIr$_{1-x}$Sn$_x$O$_3$. We analyzed the dispersions of the magnetic excitation with spin-dilution ratio $x$ = 0, 0.03, 0.06,…
{\it Ab initio} analyses of A$_2$IrO$_4$ (A=Sr, Ba) are presented. Effective Hubbard-type models for Ir 5$d$ $t_{2g}$ manifolds downfolded from the global band structure are solved based on the dynamical mean-field theory. The results for…
We present the results of first-principles cluster calculations of the electronic structure of La_2CuO_4. Several clusters containing up to nine copper atoms embedded in a background potential were investigated. Spin-polarized calculations…
An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…
Atomically-thin magnetic crystals have been recently isolated experimentally, greatly expanding the family of two-dimensional materials. In this Article we present an extensive comparative analysis of the electronic and magnetic properties…
Applying linear response and the magnetic force theorem in correlated density functional theory, the inter-sublattice exchange constants of antiferromagnetic Eu are calculated and found to vanish near the pressure of P$_c$=82 GPa, just…
Exploring new magnetic materials is essential for finding advantageous functional properties such as magnetoresistance, magnetocaloric effect, spintronic functionality, and multiferroicity. Versatile classes of double perovskite compounds…
The competition between spin-orbit coupling, bandwidth ($W$) and electron-electron interaction ($U$) makes iridates highly susceptible to small external perturbations, which can trigger the onset of novel types of electronic and magnetic…