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Register a new userCrossover from one- to three-dimensional behavior in the S = 1/2 Heisenberg antiferromagnet Cu(N2H5)2(SO4)2
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From experimental and theoretical analyses of magnetic and specific-heat properties, we present the complete magnetic phase diagram of the quasi-one-dimensional antiferromagnet Cu(N$_2$H$_5$)$_2$(SO$_4$)$_2$. On cooling and at zero magnetic field this compound enters a one-dimensional regime with short-range magnetic correlations, marked by a broad maximum in the specific heat and magnetic susceptibility at $T_mathrm{max}sim 2,mathrm{K}$, followed by an ordered antiferromagnetic phase below $T_mathrm{N}sim 1,mathrm{K}$ induced by small interchain couplings. The intermediate-temperate one-dimensional regime can be modeled using exact quantum-transfer-matrix calculations, which perfectly describe the nonmonotonic behavior of T_max as a function of the magnetic field, giving $J = 4.25,mathrm{K}$ for the intrachain exchange parameter. The analysis of magnetic specific-heat and susceptibility data at low temperature indicates that the interchain exchange couplings are an order of magnitude smaller than the coupling inside the chains.
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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.
We determine dynamical response functions of the S=1/2 Heisenberg quantum antiferromagnet on the kagome lattice based on large-scale exact diagonalizations combined with a continued fraction technique. The dynamical spin structure factor has important spectral weight predominantly along the boundary of the extended Brillouin zone and energy scans reveal broad response extending over a range of 2 sim 3J concomitant with pronounced intensity at lowest available energies. Dispersive features are largely absent. Dynamical singlet correlations -- which are relevant for inelastic light probes -- reveal a similar broad response, with a high intensity at low frequencies omega/J lesssim 0.2J. These low energy singlet excitations do however not seem to favor a specific valence bond crystal, but instead spread over many symmetry allowed eigenstates.
We successfully synthesize single crystals of the verdazyl radical $alpha$-2,3,5-Cl$_3$-V. $Ab$ $initio$ molecular orbital calculations indicate that the two dominant antiferromagnetic interactions, $J_{rm{1}}$ and $J_{rm{2}}$ ($alpha =J_{rm{2}}/J_{rm{1}}simeq 0.56$), form an $S$ = 1/2 distorted square lattice. We explain the magnetic properties based on the $S$ = 1/2 square lattice Heisenberg antiferromagnet using the quantum Monte Carlo method, and examine the effects of the lattice distortion and the interplane interaction contribution. In the low-temperature regions below 6.4 K, we observe anisotropic magnetic behavior accompanied by a phase transition to a magnetically ordered state. The electron spin resonance signals exhibit anisotropic behavior in the temperature dependence of the resonance field and the linewidth. We explain the frequency dependence of the resonance fields in the ordered phase using a mean-field approximation with out-of-plane easy-axis anisotropy, which causes a spin-flop phase transition at approximately 0.4 T for the field perpendicular to the plane. Furthermore, the anisotropic dipole field provides supporting information regarding the presence of the easy-axis anisotropy. These results demonstrate that the lattice distortion, anisotropy, and interplane interaction of this model are sufficiently small that they do not affect the intrinsic behavior of the $S$ = 1 / 2 square lattice Heisenberg antiferromagnet.
We have explored the magnetic excitation spectrum of the S=1/2 square lattice Heisenberg antiferromagnet, K2V3O8 using both triple-axis and time-of-flight inelastic neutron scattering. The long-wavelength spin waves are consistent with the previously determined Hamiltonian for this material. A small energy gap of 72+/-9 micro-eV is observed at the antiferromagnetic zone center and the near-neighbor exchange constant is determined to be 1.08+/-0.03 meV. A finite ferromagnetic interplanar coupling is observed along the crystallographic c-axis with a magnitude of Jc=-0.0036+/-0.006 meV. However, upon approaching the zone boundary, the observed excitation spectrum deviates significantly from the expectation of linear spin wave theory resulting in split modes at the (pi/2,pi/2) zone boundary point. The effects of magnon-phonon interaction, orbital degrees of freedom, multimagnon scattering, and dilution/site randomness are considered in the context of the mode splitting. Unfortunately, no fully satisfactory explanation of this phenomenon is found and further theoretical and experimental work is needed.
Neutron scattering from copper benzoate, Cu(C6D5COO)2 3D2O, provides the first direct experimental evidence for field-dependent incommensurate low energy modes in a one-dimensional spin S = 1/2 antiferromagnet. Soft modes occur for wavevectors q=pi +- dq(H) where dq(H) ~ 2 pi M(H)/gmu_B as predicted by Bethe ansatz and spinon descriptions of the S = 1/2 chain. Unexpected was a field-induced energy gap $Delta(H) propto H^alpha$, where $alpha = 0.65(3)$ as determined from specific heat measurements. At H = 7 T (gmu_B H/J = 0.52), the magnitude of the gap varies from 0.06 - 0.3 J depending on the orientation of the applied field.
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