Band calculations for supercells of ${\mathrm{La}}_{(2-x)}{\mathrm{Ba}}_x{\mathrm{CuO}}_4$ show that the rigid band model for doping is less adequate than what is commonly assumed. In particular, weak ferromagnetism can appear locally around clusters of high Ba concentration. The clustering is important at large dilution, and averaged models for magnetism, such as the virtual crystal approximation, are unable to stabilize magnetic moments. These results give support to the idea that weak ferromagnetism can be the cause of the destruction of superconductivity at high hole doping.

• Received 15 January 2008

DOI:https://doi.org/10.1103/PhysRevLett.101.157002