Concepedia

First principles study of electronic structure, chemical bonding and elastic properties of BiOCuS

Pan Liu-xian, Qinglin Xia, Shao-long YE, Ning Ding, Ziran Liu

Transactions of Nonferrous Metals Society of China · 2012 · 27 citations · 26 references

DOI

Concepts

References

26

Generalized Gradient Approximation Made Simple

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

, , +16

Special points for Brillouin-zone integrations

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

, , +6

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

The Elastic Behaviour of a Crystalline Aggregate

R. Hill · Proceedings of the Physical Society Section A · 1952 · 11.2K citations

, , +17

Iron-Based Layered Superconductor La[O<sub>1-</sub><i><sub>x</sub></i>F<i><sub>x</sub></i>]FeAs (<i>x</i> = 0.05−0.12) with <i>T</i><sub>c</sub> = 26 K

Yoichi Kamihara, Takumi Watanabe, Masahiro Hirano et al. · Journal of the American Chemical Society · 2008 · 7.9K citations

, , +13