Local Spin Density Approximation Solution for Spinel LiV₂O₄: Spin Fluctuation as a Possible Role for Heavy Fermion

We report a self-consistent full-potential linear muffin tin orbital band-structure calculation for heavy fermion (HF) compound LiV₂O₄. It is found that a stable local spin density approximation solution for LiV₂O₄ is lower in total energy than local density approximation calculation. We speculate that the mechanism responsible for HF properties in LiV₂O₄ might be of spin fluctuation type and is different from the Kondo mechanism in conventional 4f and 5f HF compounds.