相关论文: Ab initio determination of an extended Heisenberg …

We have carried out a neutron scattering study of the instantaneous spin-spin correlations in La2CuO4 (T_N = 325 K) over the temperature range 337 K to 824 K. Incident neutron energies varying from 14.7 meV to 115 meV have been employed in…

Here we investigate the temperature evolution of the structural parameters of a potential magnetoelectric material, MnTiO$_{3}$. The experimental results reveal interesting temperature dependence of the $c/a$ ratio and the Mn-O bonds which…

We have considered and alternating Heisenberg spin chain with nearest-neighbor ($J_1$), next-nearest neighbor ($J_2$) antiferromagnetic couplings along with z-component of the Dzyaloshinskii-Moriya(DM) ($D_z$) interactions. The Hamiltonian…

We report the structural and magnetic properties of a new spin-$\frac12$ antiferromagnet NaZnVOPO$_4$(HPO$_4$) studied via x-ray diffraction, magnetic susceptibility, high-field magnetization, specific heat, and $^{31}$P nuclear magnetic…

We study the dynamic spin structure factor of the spin-$1/2$ square-lattice Heisenberg antiferromagnet and of the $J$-$Q$ model (with 4-spin interactions $Q$ and Heisenberg exchange $J$). Using an improved method for stochastic analytic…

We report on band structure calculations and a microscopic model of the low-dimensional magnet beta-Cu2V2O7. Magnetic properties of this compound can be described by a spin-1/2 anisotropic honeycomb lattice model with the averaged coupling…

A linear spin-wave approach, a variational method and exact diagonlization are used to investigate the magnetic long-range order (LRO) of the spin-1/2 Heisenberg antiferromagnet on a two-dimensional 1/7-depleted triangular (maple leaf)…

We analyze the magnetic excitations of a spin-1/2 antiferromagnetic Heisenberg model with alternating nearest neighbor interactions and uniform second neighbor interactions recently proposed to describe the spin-Peierls transition in…

We expand our study on cubic BiFeO$_3$ alloys presented in [K. Koumpouras and I. Galanakis, \textit{J. Magn. Magn. Mater} 323, 2328 (2011)] to include also the BiMnO$_3$ and Bi$_2$MnFeO$_6$ alloys. For the latter we considered three…

We derive and investigate the microscopic model of the quantum magnet BiCu2PO6 using band structure calculations, magnetic susceptibility and high-field magnetization measurements, as well as ED and DMRG techniques. The resulting…

Recently, inelastic neutron scattering (INS) experiments on the insulating parent compounds of high-T_c materials were analyzed to extract the value of the superexchange constant $J$. Starting point of the analysis was the nearest-neighbor…

The spin-lattice coupling plays an important role in strongly frustrated magnets. In ZnCr$_2$O$_4$, an excellent realization of the Heisenberg antiferromagnet on the ``pyrochlore'' network, a lattice distortion relieves the geometrical…

We have performed elastic and inelastic neutron experiments on single crystal samples of the coordination polymer compound CuF2(H2O)2(pyz) (pyz=pyrazine) to study the magnetic structure and excitations. The elastic neutron diffraction…

The atomic and magnetic structures of (Cu$X$)LaNb$_2$O$_7$ ($X$=Cl and Br) are investigated using the density-functional calculations. Among several dozens of examined structures, an orthorhombic distorted $2\times 2$ structure, in which…

We calculate the crystal-field splitting, ground-state Kramers doublet and intersite exchange interactions within the ground-state doublet manifold using an ab initio Hubbard-I based approach for a representative set of Ce and Yb…

Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain…

Using the coupled cluster method we investigate spin-$s$ $J_{1}$-$J_{2}'$ Heisenberg antiferromagnets (HAFs) on an infinite, anisotropic, triangular lattice when the spin quantum number $s=1$ or $s=3/2$. With respect to a square-lattice…

Using the coupled cluster method we study the zero-temperature phase diagram of a spin-half Heisenberg antiferromagnet (HAF), the so-called $J_{1}$--$J_{2}'$ model, defined on an anisotropic 2D lattice. With respect to an underlying…

We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary…

Proximity effects allow for the adjustment of magnetic properties in a physically elegant way. If two thin ferromagnetic (FM) films are brought into contact, electronic coupling alters their magnetic exchange interaction at their interface.…