相关论文: Electronic and magnetic structure of CsV$_2$O$_5$

Here we report the synthesis, structure and detailed characterisation of three n-membered oxovanadium rings, Na$_n$[(V=O)$_n$Na$_n$(H$_2$O)$_n$($\alpha$, $\beta$, or $\gamma$-CD)$_2$]$m$H$_2$O (n = 6, 7, or 8), prepared by the reactions of…

The present study shows that the electronic structure of the $\beta$-$AV\_6O\_{15}$ family of compounds ($A = Sr, Ca, Na ...$) is based on weakly interacting two-leg ladders, in contrast with the zig-zag chain model one could expect from…

First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…

We investigate the antiferromagnetic insulating state of the recently discovered double perovskites Sr$_2$XOsO$_6$ (X$=$Sc, Mg) by using ab-initio calculations (based on Density Functional Theory and Dynamical Mean-Field Theory) to…

Magnetic properties of the natural mineral Cu$_2$(OH)$_2$CO$_3$ (malachite) were investigated through DC and AC susceptibility measurements. The analysis of the low-temperature part reveals a quantum spin-gap behavior with $\Delta \approx…

The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate Cu$_2$F$_5$. Using the DFT+U calculation, it is shown that the compound is formed by…

A spin-singlet ground state with a spin gap has been discovered in antiferromagnetic spin chain substances when the spin value is 1/2, 1 or 2. To find spin gap (singlet-triplet) excitations in spin-3/2 chain substances, we performed…

The recently discovered vanadium-based kagome metals AV$_3$Sb$_5$ (A = K, Rb, Cs) offer the possibility to study the interplay between competing electronic orderings, such as charge density order and superconductivity. We focus on the…

CoSe$_2$O$_5$ has a crystal structure consisting of zig-zag chains of edge shared CoO$_6$ octahedra running along the c axis, with the chains separated by Se$_2$O$_5^{2-}$ units. Magnetic susceptibility measurements indicate a transition at…

V$_2$O$_5$ is a promising battery electrode material that can intercalate not only Li, but also more abundant alkaline metals such as Na and K, and even multivalent ions such as Al, Ca, Cu, Mg, and Zn. V$_2$O$_5$ exhibits several different…

An investigation of the spin excitation spectrum of charge ordered (CO) NaV2O5 is presented. We discuss several different exchange models which may be relevant for this compound, namely in- line and zig-zag chain models with weak as well as…

Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…

The structure and the magnetic properties of layered Li3Cu2SbO6 are investigated by powder X-ray diffraction, static susceptibility, and electron spin resonance studies up to 330 GHz. The XRD data experimentally verify the space group C2/m…

The 3$d$-5$d$ based double perovskites offer an ideal playground to study the interplay between electron correlation ($U$) and spin-orbit coupling (SOC) effect, showing exotic physics. The Sr$_2$FeIrO$_6$ is an interesting member in this…

We study a model of two weakly coupled isotropic spin-1/2 Heisenberg chains with an antiferromagnetic coupling along the chains. It is shown that the system always has a spectral gap. For the case of identical chains the model in the…

We argue that the electronic structure considered in a Phys. Rev. Lett. paper 94 (2005) 146402 of the Co3+ ion in the CoO6 octahedron of NaxCoO2 is completely wrong. The presented Fig. 1 is redrawn here as Fig. 1. For physically adequate…

SmCo$_5$ and YCo$_5$ are isostructural compounds both showing large magnetocrystalline anisotropy, where the former originates mainly from the crystal-electric field and magnetic interactions. We investigate the contribution of both…

The magnetic susceptibility and magnetization of high quality single crystal beta-TeVO4 are reported. We show that this compound, made of weakly coupled infinite chains of VO5 pyramids sharing corners, behaves as a S = 1/2 one-dimensional…

The magnetic behaviour of the low-dimensional Vanadium-oxides Sr2V3O9 and Ba2V3O9 was investigated by means of magnetic susceptibility and specific heat measurements. In both compounds, the results can be very well described by an S=1/2…

The specific heat, magnetic susceptibility and ESR signals of a Na-deficient vanadate Na_xV_2O_5 (x=1.00 - 0.90) were studied in the temperature range 0.07 - 10 K, well below the transition point to a spin-gap state. The contribution of…