Comparison of the electronic structure of La2CuO4, La2NiO4, and K2CuF4

Abstract We report local density calculations of parameters defining extended Hubbard Hamiltonians for La 2 CuO 4 , La 2 NiO 4 , and K 2 CuF 4 , and solve these models for small clusters. These results suggest qualitative differences among the three compounds in regard to spin system, carrier - spin interactions