Related papers: Electronic band structure and exchange coupling co…
Low dimensional magnetism has been powerfully boosted as a promising candidate for numerous applications. The stability of the long-range magnetic order is directly dependent on the electronic structure and the relative strength of the…
The crystal structure of hexagonal-Sr0.6Ba0.4MnO3 allows various competing superexchange interactions, leading to intriguing magnetic properties. Local structural changes modify overlapping between Mn and oxygen ions with temperature.…
We study the exchange constants of MnV$_2$O$_4$ using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for…
The electronic structure of the ferromagnetic semiconductor EuO is investigated by means of spin- and angle-resolved photoemission spectroscopy (spin-ARPES) and density functional theory. EuO exhibits unique properties of hosting both…
Recent inelastic neutron diffraction measurements on Cr$_2$(Te, W, Mo)O$_6$ have revealed that these systems consist of bilayers of spin-3/2 Cr$^{3+}$ ions with strong antiferromagnetic inter-bilayer coupling and tuneable intra-bilayer…
Understanding the dynamics of interacting quantum spins has been one of the active areas of condensed matter physics research. Recently, extensive inelastic neutron scattering measurements have been carried out in an interesting class of…
The effect of orbital degrees of freedom on the exchange interactions in the spin-1 quasi-one-dimensional antiferromagnet CaV2O4 is systematically studied. For this purpose a realistic low-energy model with the parameters derived from the…
The substitutional dependence of valence and spin-state configurations of Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ ($x =$ 0, 0.05, 0.11, 0.17, and 0.38) is investigated with near-edge x-ray absorption fine structure at the $L_{2,3}$ edges of Fe, Co,…
Lacunar spinels with a chemical formula of $AM_4X_8$ form a populous family of narrow-gap semiconductors, which offer a fertile ground to explore correlation and quantum phenomena, including transition between Mott and spin-orbit insulator…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
Using a Rayleigh-Schr\"odinger perturbation expansion of multi-band Hubbard models, we present analytic expressions for the super-exchange coupling constants between magnetic transition metal ions of arbitrary separation in Mott-Hubbard…
We report a neutron scattering study of the long-wavelength dynamic spin correlations in the model two-dimensional $S=1/2$ square lattice Heisenberg antiferromagnets Sr$_2$CuO$_2$Cl$_2$ and Sr$_2$Cu$_3$O$_4$Cl$_2$. The characteristic energy…
Using a two-dimensional Hubbard Hamiltonian for the three electronic bands crossing the Fermi level in Sr$_2$RuO$_4$ we calculate the band structure and spin susceptibility $\chi({\bf q}, \omega)$ in quantitative agreement with nuclear…
We use the coupled cluster method for infinite chains complemented by exact diagonalization of finite periodic chains to discuss the influence of a third-neighbor exchange J3 on the ground state of the spin-1/2 Heisenberg chain with…
We investigate the microscopic origin of the ferromagnetic and antiferromagnetic spin exchange couplings in the quasi one-dimensional cobalt compound Ca3Co2O6. In particular, we establish a local model which stabilizes a ferromagnetic…
Fe$M_2X_4$ spinels, where $M$ is a transition metal and $X$ is oxygen or sulfur, are candidate materials for spin filters, one of the key devices in spintronics. We present here a computational study of the inversion thermodynamics and the…
We present electronic structure calculations for the one-dimensional magnetic chain compounds Ca_3CoRhO_6 and Ca_3FeRhO_6. The calculations are based on density functional theory and the local density approximation. We use the augmented…
We have investigated the spin dynamics in the strongly correlated chain copper oxide SrCuO$_2$ for energies up to $\gtrsim 0.6$ eV using inelastic neutron scattering. We observe an acoustic band of magnetic excitations which is well…
The magnetic properties, electronic band structure and Fermi surfaces of the hexagonal Cr2GeC system have been studied by means of both generalized gradient approximation (GGA) and the +U corrected method (GGA+U). The effective U value has…
Investigation of intermolecular electron spin interaction is of fundamental importance in both science and technology.Here, radical pairs of all-trans retinoic acid molecules on Au(111) are created using an ultra-low temperature scanning…