Nature of the band gap of halide perovskites ABX3 ( A = CH3NH3, Cs; B = Sn, Pb; X = Cl, Br, I): First-principles calculations<xref ref-type="fn" rid="cpb150734fn1">*</xref>

Nature of the band gap of halide perovskites ABX₃ ( A = CH₃NH₃, Cs; B = Sn, Pb; X = Cl, Br, I): First-principles calculations*

Yuan Ye^a), Xu Run^a), Xu Hai-Tao^a), Hong Feng^b), Xu Fei^b), Wang Lin-Jun^a)

The crystal structure of (a) CsPbI₃ and (b) CH₃NH₃PbI₃. (c) The corresponding energy band structure obtained using HSE method including the spin orbit coupling, where the energy of VBM is set at zero.