Abstract
The unrestricted Hartree-Fock approximation on a realistic multiband lattice model has been applied to study the various spin states of electron-doped La1−xCexCoO3 compounds. In the doping range 0.0⩽x⩽1.0, seven spin ordered states are found to be metastable and four of them are the ground states at different doping concentration. The magnetic ground state of the doped system takes a low-spin state for x<0.08, a low-spin–intermediate-spin ferromagnetically ordered state for 0.08⩽x<0.83, an intermediate-spin chain-type antiferromagnetically ordered state for 0.83⩽x<0.86, and followed by an intermediate-spin nearest neighbor antiferromagnetically ordered state for 0.86⩽x⩽1.0. The densities of states of all metastable spin states are computed and their electronic and magnetic properties are discussed.
Published Version
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