Concepedia

Strong ferroelectric polarization of CH<sub>3</sub>NH<sub>3</sub>GeI<sub>3</sub> with high-absorption and mobility transport anisotropy: theoretical study

Yu‐Qing Zhao, Biao Liu, Zhuo‐Liang Yu, Jianmin Ma, Qiang Wan, Peng-Bin He, Meng‐Qiu Cai

Journal of Materials Chemistry C · 2017 · 113 citations · 59 references

DOI

Concepts

Abstract

The sub-band gap absorption in the ferroelectric lead-free hybrid perovskite.

References

59

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

Akihiro Kojima, Kenjiro Teshima, Yasuo Shirai et al. · Journal of the American Chemical Society · 2009 · 22.6K citations

, , +17

Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics · 2003 · 19.2K citations

, , +9

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1997 · 14.4K citations · Full text

, , +3