34th IUPAP Conference on Computational Physics(CCP2023)

Presentation information

Contributed talks (Condensed matter physics)

Condensed matter physics

Parallel session 3

Mon. Aug 7, 2023 2:00 PM - 3:20 PM 502 (Room 4) (5F)

Chair: Chisa Hotta (University of Tokyo)

3:00 PM - 3:20 PM

[C07-3-06] Phase separation of Br-doped CsPbI3: A combined cluster expansion, Monte Carlo and DFT study

*Prettier Morongoa Maleka1,2, David Tshwane1, Steve Dima1, Odireleng Ntwaeaborwa2, Regina Maphanga1,3 (1. Council for Scientific and Industrial Research (CSIR) (South Africa), 2. University of Witwatersrand (South Africa), 3. National Institution of Physics (South Africa))

On-demand video

Keywords:Density Functional Theory, Electronic, Optical

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