Concepedia

Elasticity, mechanical and thermal properties of polycrystalline hafnium carbide and tantalum carbide at high pressure

Ruiqi He, Leiming Fang, Tiexin Han, Gongzhang Yang, Guolong Ma, Jinxin Liu, Xiping Chen, Lei Xie, Lei Liu, Qingze Li,

Journal of the European Ceramic Society · 2022 · 32 citations · 45 references

DOI

Concepts

References

45

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

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

<i>EXPGUI</i>, a graphical user interface for<i>GSAS</i>

Brian H. Toby · Journal of Applied Crystallography · 2001 · 9.2K citations

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