Concepedia

Ab initio calculations of metal/ceramic interfaces: what have we learned, what can we learn?

Michael W. Finnis, C. Kruse, U. Schönberger

Nanostructured Materials · 1995 · 38 citations · 10 references

DOI

Concepts

References

10

Self-Consistent Equations Including Exchange and Correlation Effects

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

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Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

, , +16

The stability of ionic crystal surfaces

P. Tasker · Journal of Physics C Solid State Physics · 1979 · 1.8K citations

, , +17

Fast full-potential calculations with a converged basis of atom-centered linear muffin-tin orbitals: Structural and dynamic properties of silicon

M. Methfessel, C. O. Rodríguez, O. K. Andersen · Physical review. B, Condensed matter · 1989 · 509 citations

, , +16

Bonding at metal-ceramic interfaces; AB Initio density-functional calculations for Ti and Ag on MgO

U. Scho ̈nberger, O. K. Andersen, M. Methfessel · Acta Metallurgica et Materialia · 1992 · 177 citations

, , +14