Figure 6
From: Hf/Sb co-doping induced a high thermoelectric performance of ZrNiSn: First-principles calculation
(a) Calculated the TDOS of ZrNiSn, Hf0.25Zr0.75NiSn and Hf0.5Zr0.5NiSn. (b) PDOS of Hf0.5Zr0.5NiSn. (c) The band decomposition charge density of Hf0.5Zr0.5NiSn at the bottom of CB with the isosurface value of 0.003 e/Å3. (d) The states of the four nearest Ni atoms of Sn48 and Sb1.
