Muon Sites Estimation in La2Cu04 and A New Vanadium Cluster Compound, V4S9Br4, using Electronic and Nuclear Dipole Field Calculations

Abstract

AbstractA new positive muon position in La2CuO4 is suggested from electronic and nuclear dipoles simulations. The muon site was found to be close to the center of a triangle plane of the CuO6 octahedral that was formed by the apical and two in-plane oxygen. The magnetic moment of the Cu spin was estimated to be 0.66 μB/Cu in order to optimize the muon site. We also applied our method to the new vanadium compound, V4S9Br4, in which four muon sites were observed in a magnetically ordered state