Abstract
We have studied the magnetic properties of LaCo 2 in a MgCu 2 structure by first-principles electronic structure calculation. The Korringa–Kohn–Rostoker method is utilized to evaluate the spin-moment dependence of total energy at zero temperature. When the external magnetic field is zero, the ground state has no net spin as determined by local-spin density approximation (LSDA). The obtained result is the same when the energy functional of a generalized gradient approximation is used. The fixed spin moment method, which successfully confirms the metamagnetic transition of YCo 2 in LSDA, is applied to LaCo 2 . Our calculation suggests the occurrence of metamagnetic transition in LaCo 2 .
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