Concepedia

Bioferroelectric Properties of Glycine Crystals

Pengfei Hu, Shunbo Hu, Yundi Huang, Jeffrey R. Reimers, Andrew M. Rappe, Yongle Li, Alessandro Stroppa, Wei Ren

The Journal of Physical Chemistry Letters · 2019 · 56 citations · 62 references

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Concepts

Abstract

, consistent with experimental evidence. This work sheds light on the microscopic mechanism of electric dipole ordering in biomaterials, helping in the material design of novel bioferroelectrics.

References

62

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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