Effect of defects on the line shape of electron paramagnetic resonance signals from the single-molecule magnet Mn_(12): A theoretical study

摘要

We estimate the effect of lattice defects on the line shape of electron paramegnetic resonance (FPR) signals fro ma single crystal of the S = 10 single-molecualr magnet Mn_(12), measured with the external magnetic field along the cruystal c axis. A second-order perturbation treatment of an effective single-spin Hamiltonian indicates that a small, random and static misorientation of hte magnetic symmetry axes in a crystalline lattice can lead to asymmetric EPR peaks. Full spectra are simulated by calculating probability-distribution functions for the resonant fields, emplying distributions in the tilt angle of the easy axis from the c axis, in the uniaxial anisotropy parameter, and in the g-factor. We discuss conditions under which the asymmetry in the EPR spectral becomes prominent. The direction and magnitude of the asymmetry provide information on the specific energy levels involved with the EPR transition, the EPR frequency, and the distribution in the tilt angle.