Concepedia

First-Principles Calculations to Investigate Effect of X+ Cations Variation on Structural, Mechanical, Electronic and Optical Properties of the XCdCl3 Chloroperovskites

Kamal Hossain, Kamal Hossain, Rabeya Akter Rabu, Mst. Shamima Khanom, Md. Kamal Hossain, Md. Kamal Hossain, Farid Ahmed

Materials Science and Engineering B · 2023 · 27 citations · 85 references

DOI

Concepts

References

85

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.8K citations · Full text

, , +16

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text

, , +13

Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber

Samuel D. Stranks, Giles E. Eperon, Giulia Grancini et al. · Science · 2013 · 10.3K citations

, , +17