Effect of structural distortions on the magnetism of doped spin - Peierls
نویسندگان
چکیده
The chemical selectivity and great sensitivity of the Extended X-ray Absorption Spectroscopy technique allowed the determination, in the paramagnetic phase, of the structural distortions induced by doping in the spin-Peierls CuGeO3 compound. The distorted environments were analyzed as a function of concentration, magnetic nature of impurity and the substitution site (Ni, Mn and Zn impurities on the Cu site, Si impurity on the Ge site). This has led to estimate the variation of the angles and pair distances, and hence to evaluate the magnetic coupling along the Cu chains in the vicinity of the impurities. The antiferromagnetic interaction between Cu first neighbors in the pure sample is found to be weakened around Ni, almost cancelled in the case of Mn doping, and even to change sign, producing a ferromagnetic coupling for Si doping. More generally, the structural distortions on a local scale are shown to be key parameters for the understanding of the magnetic properties of doped spin-Peierls compounds.
منابع مشابه
Effect of structural distortions on the magnetism of doped spin-Peierls CuGeO3
The chemical selectivity and great sensitivity of the Extended X-ray Absorption Spectroscopy technique allowed the determination, in the paramagnetic phase, of the structural distortions induced by doping in the spin-Peierls CuGeO3 compound. The distorted environments were analyzed as a function of concentration, magnetic nature of impurity and the substitution site (Ni, Mn and Zn impurities on...
متن کاملTheoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes
The effect of impurities on quantum chemical parameters of single-walled nanotubes (SWNTs) was studied using density functional theory (DFT). The density of states (DOS), Fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. It was found that this nanotube remains metallic after being doped with one nitrogen atom. The partial den...
متن کاملThe structural and density state calculation of B Nitrogen doped silicene nano flake
In this paper, we study the effect of single Boron/Nitrogen impurityatom on electronic properties of a silicene nano flake. Our calculations are basedon density functional theory by using Gaussian package. Here, one Si atom insilicene nano flake substitutes with a Boron/Nitrogen atom. The results show thatsubstitution of one Si atom with single Boron/Nitrogen atom increases distanceof impurity ...
متن کاملDirect Relationship between Magnetism and MnO6 Distortions in La12xCaxMnO3
Measured distortions of the Mn-O bond length distribution from x-ray-absorption fine-structure measurements are found to relate linearly to the doped hole concentration x at room temperature in La12xCaxMnO3. Comparison of the distortions above and below Tc for colossal magnetoresistor (CMR) samples gives an estimate of the number of delocalized holes ndh, and we find that lnsndhd ~ M (magnetiza...
متن کاملStructural distortions of frustrated quantum spin lattices in high magnetic fields
We study the stability of some strongly frustrated antiferromagnetic spin lattices in high magnetic fields against lattice distortions. In particular, we consider a spin-s anisotropic Heisenberg antiferromagnet on the square-kagomé and kagomé lattices. The independent localized magnons embedded in a ferromagnetic environment, which are the ground state at the saturation field, imply lattice ins...
متن کامل