Related papers: Electronic structure of the zigzag spin-chain comp…
We report on the microscopic model of the recently synthesized one-dimensional quantum magnet (NO)Cu(NO3)3. Applying density functional theory band structure calculations, we obtain a leading antiferromagnetic exchange coupling J ~ 200 K,…
We study a spin 1/2 Heisenberg zigzag spin chain model near decoupled two chains. Taking into account a symmetry breaking perturbation, we discuss the existence of an energy gap in the ferromagnetic interchain coupling as well as the…
The results of ac and dc magnetization and heat capacity measurements as a function of temperature (T = 1.8 to 300 K) are reported for a quasi-one-dimensional compound, Ca$_3$CuMnO$_6$, crystallizing in a triclinically distorted…
We measured the temperature dependence of the magnetic susceptibility and specific heat and the magnetic-field dependence of the magnetization of CuInVO$_5$. An antiferromagnetically ordered state appears below $T_{\rm N} = 2.7$ K. We…
Many-electron systems confined to a quasi-1D geometry by a cylindrical distribution of positive charge have been investigated by density functional computations in the unrestricted local spin density approximation. Our investigations have…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combining high- resolution angle resolved photoemission…
$\gamma$-triclinic and $\alpha$-monoclinic polymorphs of CoV$_{2}$O$_{6}$ are two of the few known transition metal ion based materials that display stepped $1/3$ magnetization plateaus at low temperatures. Neutron diffraction [M. Markkula…
Co3V2O8 (CVO) has a geometrically frustrated magnetic lattice, a Kagome staircase. The crystal structure consists of two inequivalent Co sites, one-dimensional chains of Co(2) spine sites, linked by Co(1) cross-tie sites. Neutron powder…
Detailed experiments on single-crystal (VO)_2P_2O_7 continue to reveal new and unexpected features. We show that a model composed of two, independent planes of spin chains with frustrated magnetic coupling is consistent with nuclear…
Motivated by an early experimental study of VOSeO3, which suggested that it is a quasi-2D system of weakly coupled spin dimers with a small spin gap, we have investigated the electronic structure of this material via density-functional…
Physical properties of a pyrohafnate compound Pr2Hf2O7 have been investigated by ac magnetic susceptibility \chi_ ac(T), dc magnetic susceptibility \chi(T), isothermal magnetization M(H) and heat capacity C_p(T) measurements on…
We consider interacting electrons in a quantum wire in the case of a shallow confining potential and low electron density. In a certain range of densities, the electrons form a two-row (zigzag) Wigner crystal whose spin properties are…
An analytical study is presented of the crossover in the gapless attractive XXZ chain from antiferromagnetic to ferromagnetic behaviour at low to high temperature, respectively. In particular, an analytic formula for the crossover in the…
Based on density functional calculations, we present a detailed theoretical study of the electronic structure and the magnetic properties of the quasi-one dimensional chain cuprate Li_2ZrCuO_4 (Li_2CuZrO_4). For the relevant ratio of the…
To understand the collinear-magnetism-driven ferroelectricity in multiferroic Ca3CoMnO6 compound, we have established an elastic diatomic Ising spin-chain model with axial-next-nearest-neighbor interaction to describe its magnetoelectric…
We used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca2Sr2IrO6. The crystal structure is determined to be $R\bar3$ with two distinct Ir sites. The system…
Magnetic order and the underlying magnetic model of the multiferroic pyroxene NaFeGe2O6 are systematically investigated by neutron powder diffraction, thermodynamic measurements, density-functional bandstructure calculations, and…
We present a detailed powder and single crystal neutron diffraction study of the spin chain compound Ca3Co2O6. Below 25 K, the system orders magnetically with a modulated partially disordered antiferromagnetic structure. We give a…
We have studied the crystal and magnetic structures of the magnetoelectric materials RMn2O5 (R = Tb, Ho, Dy) using neutron diffraction as a function of temperature. All three materials display incommensurate antiferromagnetic ordering below…