Effects of the Supercell's Size on Muon Positions Calculations of La_2CuO_4

摘要

The outcome of density functional theory (DFT) technique within the supercell's framework of La_2CuO_4 (LCO) are reported. We evaluated local dipolar fields of muon's position inside LCO assuming dipolar interaction occurred by varying the supercell's size. We found out that the field on proposed muon's trapping positions was known to be not affected so much by the supercell's size and still fairly larger than the experimental data. Our results suggest that the inclusion of quantum effects of implanted muon and electronic spin are required to explain experimental data.