Related papers: First principles perspective on the microscopic mo…

We perform numerical simulations of the 2-d antiferromagnetic quantum Heisenberg model using an efficient cluster algorithm. Comparing the finite size and finite temperature effects of various quantities with recent results from chiral…

The magnetic anisotropy af a rectangular Cu-O-Cu bond is investigated in second order of the spin-orbit interaction. Such a bond is characteristic for cuprates having edge sharing CuO_2 chains, and exists also in the Cu_3O_4 plane or in…

Ground state and low-energy excitations of the quasi-one-dimensional antiferromagnet CuSe$_2$O$_5$ were experimentally studied using bulk magnetization, neutron diffraction, muon spin relaxation and antiferromagnetic resonance measurements.…

SrCr$_2$As$_2$ is an itinerant antiferromagnet in the same structural family as the SrFe$_2$As$_2$ high-temperature superconductors. We report our calculations of exchange-coupling parameters $J_{ij}$ for SrCr$_2$As$_2$ using a static…

We present a microscopic magnetic model for the spin-liquid candidate volborthite Cu3V2O7(OH)2(H2O)2. The essentials of this DFT-based model are (i) the orbital ordering of Cu(1) 3d 3z2-r2 and Cu(2) 3d 3x2-y2, (ii) three relevant couplings…

The formalism based on Correlated Basis Functions (CBF) and the cluster-expansion technique has been recently employed to derive an effective interaction from a realistic nuclear Hamiltonian. One of the main objectives of the work described…

The new antiferromagnetic (AF) compound BaCu_2Si_2O_7 is studied by magnetic susceptibility and neutron scattering techniques. The observed behavior is dominated by the presence of loosely coupled S=1/2 chains with the intrachain AF…

We present calculations of the magnetic ground state of Cs_2CuCl_4 in an applied magnetic field, with the aim of understanding the commensurately ordered state that has been discovered in recent experiments. This layered material is a…

We report magnetization, nuclear magnetic resonance (NMR), nuclear quadrupole resonance (NQR), and transmission electron microscopy (TEM) studies on the quasi-two-dimensional spin-gap system (CuCl)LaNb2O7, a possible candidate for the J1-J2…

We present the results of a muon-spin relaxation study of the high-Tc analogue material Cs2AgF4. We find unambiguous evidence for magnetic order, intrinsic to the material, below T_C=13.95(3) K. The ratio of inter- to intraplane coupling is…

We investigate magnetic properties of a frustrated Heisenberg antiferromagnet with a face-centered cubic (FCC) lattice and exchange interactions between the nearest- and next-nearest neighbours, J1 and J2. In a collinear phase with the wave…

Using first-principles density functional calculations, we perform a comparative study of two Fe based spinel compounds, FeCr2S4 and FeSc2S4. Though both systems contain an orbitally active A site with an Fe2+ ion, their properties are…

Using Monte Carlo techniques, we show that the two--dimensional anisotropic Heisenberg model reproducing nicely inelastic neutron scattering measurements on La_5 Ca_9 Cu_24 O_41 (Matsuda et al. [Phys. Rev. B 68, 060406(R) (2003)]) seems to…

Inelastic neutron scattering is used to study transverse-polarized magnetic excitations in the quasi-one-dimensional S=1/2 antiferromagnet BaCu_2Si_2O_7, where the saturation value for the N\'eel order parameter is $m_0=0.12 \mu_{\rm B}$…

Inelastic neutron scattering measurements are reported for the quantum antiferromagnetic material Cu_2(C_5H_12N_2)_2Cl_4 (CuHpCl). The magnetic excitation spectrum forms a band extending from 0.9 meV to 1.4 meV. The spectrum contains two…

This work is an ab initio study of the 2p3 4So_3/2, and 2Do_{3/2,5/2} states of C- and 2p2 3P_{0,1,2}, 1D_2, and 1S_0 states of neutral carbon. We use the multi-configuration Hartree-Fock approach, focusing on the accuracy of the wave…

Deuteron elastic scattering from 15C and inelastic scattering reactions to the first excited state of 15C were studied using a radioactive beam of 15C in inverse kinematics. The scattered deuterons were measured using HELIOS. The elastic…

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…

Severe plastic deformation using high-pressure torsion of ternary Cu-based materials (CuFeCo and CuFeNi) was used to fabricate bulk samples with a nanocrystalline microstructure. The goal was to produce materials featuring the granular…

By systematic first-principles calculations, we study the electronic structure and magnetic property of SrCrO$_3$. Our results suggest that SrCrO$_3$ is a weakly correlated antiferromagnetic (AF) metal, a very rare situation in…