Concepedia

Diffusion and defect chemistry of temperature-stable BaTiO3-based ceramics: Experiment and theoretical calculations

Xu Cheng, Yichao Zhen, Mengjian Xiao, Peiyao Zhao, Kezhen Hui, Weichen Zhang, Ying Jiang, Limin Guo, Zhenxiao Fu, Xiuhua Cao,

Journal of the European Ceramic Society · 2024 · 13 citations · 50 references

DOI

Concepts

References

50

Generalized Gradient Approximation Made Simple

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

, , +16

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

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

R. D. Shannon · Acta Crystallographica Section A · 1976 · 64.8K citations

, , +17