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Magnetic structure of the frustrated S=1/2 chain magnet LiCu2O2 doped with nonmagnetic Zn

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 Added by Andrey Vasiliev
 Publication date 2013
  fields Physics
and research's language is English




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We present the results of magnetization, ESR and NMR measurements on single crystal samples of the frustrated S=1/2 chain cuprate LiCu2O2 doped with nonmagnetic Zn^2+. As shown by the x-ray techniques the crystals of Li(Cu{1-x}Zn{x})2O2 with x<0.12 are single-phase, whereas for higher Zn concentrations the samples were polyphase. ESR spectra for all monophase samples (0<= x<0.12) can be explained within the model of a planar spin structure with a uniaxial type anisotropy. The NMR spectra of the highly doped single crystal sample Li(Cu0.9Zn0.1)2O2 can be described in the frame of a planar spin glass like magnetic structure with short range spiral correlations in the crystal (ab)-planes with strongest exchange bonds. The value of magnetic moments of Cu^2+ ions in this structure is close to value obtained for undoped crystals: (0.8 +- 0.1) mu_B.



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We present the results of the magnetization and dielectric constant measurements on untwinned single crystal samples of the frustrated S=1/2 chain cuprate LiCu_2O_2. Novel magnetic phase transitions were observed. A spin flop transition of the spiral spin plane was observed for the field orientations H||a,b. The second magnetic transition was observed at H~15 T for all three principal field directions. This high field magnetic phase is discussed as a collinear spin-modulated phase which is expected for an S=1/2 nearest-neighbor ferromagnetic and next-nearest-neighbor antiferromagnetic chain system.
We report on a heat capacity study of high quality single crystal samples of lcvo -- a frustrated spin $S=1/2$ chain system -- in magnetic field amounting to 3/4 of the saturation field. At low fields up to about 7~T, a linear temperature dependence of the specific heat, $C_ppropto T$, resulting from 1D magnetic correlations in the spin chains is followed upon cooling by a sharp lambda anomaly of the transition into a 3D helical phase with $C_ppropto T^3$ behavior at low temperature. The transition from a spin liquid into a spin-modulated (SM) phase at higher fields occurs via a hump-like anomaly which, as the temperature decreases further turns into a $C_ppropto T^2$ law distinctive for a quasi-2D system. We suggest an explanation for how nonmagnetic defects in the Cu$^{2+}$ chains can suppress 3D long-range ordering in the SM phase and leave it undisturbed in a helical phase.
The compound KTi(SO4)2.H2O was recently reported as a quasi one-dimensional spin 1/2 compound with competing antiferromagnetic nearest neighbor exchange J1 and next-nearest neighbor exchange J2 along the chain with a frustration ratio alpha = J2/J1 ~ 0.29 [Chem. Mater. vol. 20, pg. 8 (2008)]. Here, we report a microscopically based magnetic model for this compound derived from density functional electronic structure calculations along with respective tight-binding models. Our calculations confirm the quasi one-dimensional nature of the system with antiferromagnetic J1 and J2, but suggest a significantly larger frustration ratio alpha ~ 1.1 +- 0.2. Based on transfer matrix renormalization group calculations we found that, due to an intrinsic symmetry of the J1-J2 model, our larger frustration ratio alpha is also consistent with the previous thermodynamic data. To resolve this issue, we propose performing high-field magnetization measurements and low temperature susceptibility measurements which should allow to precisely identify the frustration ratio alpha.
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We have studied the structural, magnetic properties, and electronic structure of the compound InCuPO5 synthesized by solid state reaction method. The structure of InCuPO5 comprises of S = 1/2 uniform spin chains formed by corner-shared CuO4 units. Magnetic susceptibility chi(T) data shows a broad maximum at about 65 K, a characteristic feature of one-dimensional (1D) magnetism. The chi(T) data is fitted to the coupled, S = 1/2 Heisenberg antiferromagnetic (HAFM) uniform chain model that gives the intra-chain coupling (J/kB) between nearest neighbour Cu2+ ions as -100 K and the ratio of inter-chain to intra-chain coupling (J/J) as about 0.07. The exchange couplings estimated from the magnetic data analysis are in good agreement with the computed values from the electronic structure calculations based on density functional theory + Hubbard U (DFT+U) approach. The combination of theoretical and experimental analysis confirms that InCuPO5 is a candidate material for weakly coupled S = 1/2 uniform chains. A detailed theoretical analysis of the electronic structure further reveals that the system is insulating with a gap of 2.4 eV and a local moment of 0.70 muB /Cu.
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