相关论文: Exchange constants in molecule-based magnets deriv…
In this study, we explored the magnetic coupling in a multilayer system consisting of thin layers separated by a distance $d$. We have employed Monte Carlo (MC) simulations to calculate the thermodynamic quantities such as the magnetization…
We present the structural, magnetic, thermodynamic, and transport properties of the two new compounds YbPt$_2$Sn and YbPt$_2$In. X-ray powder diffraction shows that they crystallize in different structure types, the hexagonal ZrPt$_2$Al and…
A high precision determination of the strong coupling constant in the MS-bar scheme at the Z-mass scale, using low energy quantities, namely pion/kaon decay constants and masses, as experimental input is presented. The computation employs…
We quantify the instability towards the formation of multipolar states in coupled spin-1/2 chain systems with a frustrating J1-J2 exchange, in parameter regimes that are of directly relevance to edge-shared cuprate spin-chain compounds.…
We use first-principles calculations based on density functional theory to investigate the magnetic exchange interaction of Fe clusters on Rh(111) and Ru(0001). We consider dimers, trimers, tetramers, and pentamers of different shape in fcc…
We investigate the cause of exchange anisotropy in a family of copper-based, quasi-two-dimensional materials with very similar geometries. This family differs mainly in the inter-layer separation, but have very different magnetic…
We present the results of muon-spin relaxation measurements of spin excitations in the one-dimensional quantum Heisenberg antiferromagnet Cu(pyz)(NO$_{3}$)$_{2}$. Using density-functional theory we propose muon sites and assess the degree…
Isotropic S=1/2 quasi-one-dimensional antiferromagnets are considered within the bosonization method. The 1/zp-corrections to the interchain mean-field theory (zp is the number of nearest neighbors in transverse to chain directions) are…
Exchange coupling constants ($J$) are fundamental to the understanding of spin spectra of magnetic systems. Here we investigate the broken-symmetry (BS) approaches of Noodleman and Yamaguchi in conjunction with coupled cluster (CC) methods…
The antiferromagnetic insulating cuprate Ba$_3$Cu$_2$O$_4$Cl$_2$ contains folded CuO$_2$ chains with four magnetic copper ions ($S=1/2$) per unit cell. An underlying multiorbital Hubbard model is formulated and the superexchange theory is…
We report magnetization measurements, full-potential band structure calculations, and microscopic modeling for the spin-1/2 Heisenberg magnets A2CuP2O7 (A = Na, Li). Based on a quantitative evaluation of the leading exchange integrals and…
The magnetic ground state of the quasi-one-dimensional spin-1 antiferromagnetic chain is sensitive to the relative sizes of the single-ion anisotropy ($D$) and the intrachain ($J$) and interchain ($J'$) exchange interactions. The ratios…
We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS$_3$ and NiPS$_3$) of transition metal phosphorus trichalcogenides doped with $3d$…
A compound with very weakly interacting chains, MnCl$_3$(bpy), has attracted a great deal of attention as a possible $S=2$ Haldane chain. However, long-range magnetic order of the chains prevents the Haldane gap from developing below…
The dynamical properties of the S=1/2 antiferromagnetic XXZ chain are studied by the exact diagonalization and the recursion method of finite systems up to 24 sites. Two types of the exchange interaction are considered: one is the…
The temperature dependence of the static magnetic susceptibility of exchange-disordered antiferromagnetic Heisenberg spin-1/2 finite chains with an odd number of spins is investigated as a function of size and type of disorder in the…
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
Neutron inelastic scattering has been used to measure the magnetic excitations in powdered NiPS$_3$, a quasi-two dimensional antiferromagnet with spin $S = 1$ on a honeycomb lattice. The spectra show clear, dispersive magnons with a $\sim…
In nanocomposite magnetic materials the exchange coupling between phases plays a central role in the determination of the extrinsic magnetic properties of the material: coercive field, remanence magnetization. Exchange coupling is therefore…
We report the design, synthesis, crystal structure, and physical properties of a layered intergrowth compound, Eu$_2$CuMn$_2$P$_3$. The structure of Eu$_2$CuMn$_2$P$_3$ features an alternating arrangement of hexagonal EuCuP block layers and…