相关论文: Electronic structure of spin 1/2 Heisenberg antife…

The magnetic properties of a new compound, Na5RbCu4(AsO4)4Cl2 are reported. The material has a layered structure comprised of square Cu4O4 tetramers. The Cu ions are divalent and the system behaves as a low-dimensional S=1/2…

The antiferromagnetic compound Ba(TiO)Cu$_4$(PO$_4$)$_4$ contains square cupola of corner-sharing CuO$_4$ plaquettes, which were proposed to form effective quadrupolar order. To identify the magnetic structure, we have performed spherical…

The electronic structure of the $(2\sqrt{2}\times\sqrt{2})R45^{\circ}$ O/Cu(001) system has been calculated using locally self-consistent, real space multiple scattering technique based on first principles. Oxygen atoms are found to perturb…

By means of electron spin resonance investigations we revealed the crucial role of the interchain coupling in the spin dynamics of the spin-1/2 Heisenberg antiferromagnetic (AF) chain material copper-pyrazine-dinitrate,…

We report on high-field magnetization, specific-heat and electron spin resonance (ESR) studies of the quasi-two-dimensional spin-1/2 Heisenberg antiferromagnet [Cu(pyz)2(HF2)]PF6. The frequency-field diagram of ESR modes below TN = 4.38 K…

Motivated by the homometallic intertwining double-chain ferrimagnets A_3_Cu_3_(PO_4_)_4_ (A=Ca,Sr,Pb), we investigate the low-energy structure of their model Hamiltonian H=\sum_n_[J_1_(S_{n :1}_+S_{n :3}_)…

Sr_2CuO_3 and Ca_2CuO_3 are considered to be model systems of strongly anisotropic, spin-1/2 Heisenberg antiferromagnets. We report on the basis of a band-structure analysis within the local density approximation and on the basis of…

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…

We performed susceptibility, magnetization, specific heat, and single crystal neutron diffraction measurements on single crystalline BaMn$_2$Si$_2$O$_7$. Based on the results, we revisited its spin structure with a more accurate solution…

In this paper, we report on the magnetic properties of Ba2CoS3, a spin-chain compound recently found to be the first Co2+ containing one-dimensional sulphide to show metallic-like conductivity and negative magnetoresistance. We carried out…

Atomic, electronic, and magnetic structure of LaSrCo$_{1/2}$Fe$_{1/2}$O$_4$ mixed-metal Ruddlesden-Popper oxide is investigated theoretically using self-consistent ACBN0 DFT + $U$ approach. We show that the electronic and magnetic…

The structural and magnetic properties of spinel compounds $CoB_2O_4$ (B=Cr,Mn and Fe) are studied using the DFT+U method and generalized gradient approximation (GGA). We concentrate on understanding the trends in the properties of these…

The ground-state spin arrangement and the bipartite entanglement within Cu$^{2+}$-Cu$^{2+}$ dimers across the magnetization process of the 4f-3d heterometallic coordination polymer [{Dy(hfac)$_2$(CH$_3$OH)}$_2${Cu(dmg)(Hdmg)}$_2$]$_n$…

Inelastic neutron scattering experiments have been carried out on a powder sample of Cu2PO4OH, which consists of diamond-shaped tetramer spin units with S=1/2. We have observed two nearly dispersionless magnetic excitations at E1~12 and…

We investigate the microscopic model for the frustrated layered antiferromagnets Cs2CuCl4 and Cs2CuBr4 by performing ab initio density functional theory (DFT) calculations and with the help of the tight-binding method. The combination of…

We report the results of muon-spin relaxation measurements on the low-dimensional antiferromagnet Rb4Cu(MoO4)3. No long-range magnetic order is observed down to 50 mK implying a ratio T_N/J<0.005 (where J is the principal exchange strength…

We present density functional calculations on the molecule based S=1/2 antiferromagnetic chain compound Cu PM(NO3)2 (H2O)2; PM = pyrimidine. The properties of the ferro- and antiferromagnetic state are investigated at the level of the local…

We investigate the structural and magnetic properties of the new quantum magnet BaCuTe$_2$O$_6$. This compound is synthesized for the first time in powder and single crystal form. Synchrotron X-ray and neutron diffraction reveal a cubic…

Spin-$1/2$ chains with alternating antiferromagnetic and ferromagnetic couplings have attracted considerable interest due to the topological character of their spin excitations. Here, using density functional theory and density matrix…

We report synthesis and magnetic properties of quasi-one-dimensional spin-$\frac{1}{2}$ Heisenberg antiferromagnetic chain compound BaNa$_2$Cu(VO$_4$)$_2$. This orthovanadate has a centrosymmetric crystal structure, $C2/c$, where the…