Figure 1 | Scientific Reports

Figure 1

From: Strain induced electronic structure variation in methyl-ammonium lead iodide perovskite

Figure 1

The projective density of states (PDOS) of tetragonal phase CH3NH3PbI3 (a), and charge density distribution of valence band maximum (VBM) (middle column), and conduction band minimum (CBM) (right column) (b). The energy band of CH3NH3PbI3 with PBE plus SOC (c) and HSE plus SOC calculations (d). The CBM was set to zero in PDOS. The black, purple, brown, green, and pink balls are lead, iodine, carbon, nitrogen, and hydrogen atoms, respectively. The yellow part represents the charge distribution.

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