Figure 2
From: Magnetic Frustration Driven by Itinerancy in Spinel CoV2O4
Reduced single-ion anisotropy (SIA) of V in CoV2O4 compared with that in MnV2O4. (a) Total energy versus angle and associated SIA (meV) of V3+ in ambient (circle) and 10 GPa (square) pressure for bulk CoV2O4 and MnV2O4 (diamond). (b) NC spin configurations of V3+ and Co2+/Mn2+ spins pointing along local [111] and global [001] directions, respectively. The round bold (dotted) arrows close to V spins depict the rotational flexibility in CoV2O4 (MnV2O4). (c) SIA of Co2+ in bulk CoV2O4 under 10 Gpa compared to SIA of Mn2+ in bulk MnV2O4. (d) Orbital occupation configuration of Mn2+ (d 5) and Co2+ (d 7). (e) R V−V in CoV2O4 and MnV2O4 are compared with R V−V in other vanadates from ref.29.
