fig6
Figure 6. First-principles calculations for the SmCo7 alloy with Hf doping[97]. (A) Formation energies calculated for SmCo7 and SmCo6.75Hf0.25 with different doping sites. (B) Calculated occupation probability as a function of temperature for the SmCo6.75Hf0.25 phase. (C) Total charge density distributions of SmCo7 (C1) and SmCo6.75Hf0.25 (C2) on (100) plane. (D) Total density of states and partial density of states of SmCo6.75Hf0.25.
