MUON SITE ESTIMATION OF CERU2AL10 AT GROUND STATE STUDIED BY DENSITY FUNCTIONAL THEORY

We presented our investigation on the muon site estimation in metallic ground state of antiferromagnetic CeRu2Al10 by using the density functional theory (DFT). In this calculation, we estimated the position of muon site using local spin density approximation (LSDA) and the pseudopotential technique of plane-wave approximation adopted from Vienna Ab-initio Software Package (VASP). We calculated the dipole field by using the internal field from µSR experimental analysis as our reference in order to gain more understanding on the electronic properties of CeRu2Al10 at the muon site. Two positions of muon site were estimated, and the dipole fields were converged to 21.5 G and 150 G. The hybridization of the system was observed through the distribution of charge density. From our observations, we suggested that the two internal fields sensed by positive muon came from dynamic and static magnetic fields that arise from hybridization and ordered magnetic moments.