Figure 5
From: First-principles study on the structural and electronic properties of metallic HfH2 under pressure
The electron localization function and difference charge density maps.
(a–c) Electron localization function (ELF) maps of I4/mmm (100 GPa), Cmma (200 GPa) and P21/m (250 GPa), respectively. (d–f) Difference charge density (crystal density minus superposition of isolated atomic densities) of I4/mmm, Cmma and P21/m for HfH2 plotted at 100, 200 and 250 GPa, respectively. The isosurface value is set as: Blue represent positive (+0.05) while Yellow represent negative (−0.015).
