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• W2962809557 abstract "We report first-principles calculations, using the full potential linear augmented plane wave method, on six lead halide semiconductors, namely, CH3NH3PbI3, CH3NH3PbBr3, CsPbX3 (X = Cl, Br, I), and RbPbI3. Exchange is modeled using the modified Becke–Johnson potential. With an appropriate choice of the parameter that defines this potential, an excellent agreement is obtained between calculated and experimental band gaps of the six compounds." @default.
• W2962809557 created "2019-07-30" @default.
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• W2962809557 date "2014-11-24" @default.
• W2962809557 modified "2023-10-17" @default.
• W2962809557 title "Modeling of Lead Halide Perovskites for Photovoltaic Applications" @default.
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• W2962809557 doi "https://doi.org/10.1021/jp5050145" @default.
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