First-principles calculations of YMn2

The electronic structure and magnetism of YMn2 are discussed on the basis of the density functional theory within the local density approximation (LDA). The origin of discrepancies that have been observed so far between experimental and theoretical conclusions are discussed. It is concluded that both the LDA and generalized gradient approximation (GGA) seem not reliable to make convincing arguments of the magnetic properties of YMn2, and thus a theory going beyond the local or semi-local treatments is necessary.