Concepedia

First-principles calculations on the electronic structure and bonding nature of TaN(111)/TiN(111) interface

Chunyan Liu, Na Jin, Zhi‐Qing Li, Xindian Liu

Journal of Alloys and Compounds · 2017 · 39 citations · 38 references

DOI

Concepts

References

38

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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Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

, , +17

Elastic constants of single-crystal transition-metal nitride films measured by line-focus acoustic microscopy

J. O. Kim, J. D. Achenbach, Paul B. Mirkarimi et al. · Journal of Applied Physics · 1992 · 338 citations · Full text

, , +17