Concepedia

Local structure and vibrational dynamics in indium-doped barium zirconate

Laura Mazzei, Adrien Perrichon, Alessandro Mancini, Gӧran Wahnström, Lorenzo Malavasi, Stewart F. Parker, L. Börjesson, Maths Karlsson

Journal of Materials Chemistry A · 2018 · 34 citations · 57 references

DOIFull text

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Concepts

Abstract

Long-range proton diffusion through a percolation pathway of dopant atoms in acceptor doped barium zirconate.

References

57

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

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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