Concepedia

Theoretical study of electronic and mechanical properties of Fe<sub>2</sub>B

Shiyu Deng, Jiashi Zhao, Shubo Wei, Chunye Zhu, Jian Lv, Quan Li, Weitao Zheng

RSC Advances · 2016 · 15 citations · 41 references

DOI

Concepts

Abstract

Fe<sub>2</sub>B is ultra-incompressible under static pressure but rather flexible under uniaxial or shear strain conditions.

References

41

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

Special points for Brillouin-zone integrations

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

, , +6

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

Physical Properties of Crystals

Materials Today · 2007 · 7.8K citations · Full text

, , +14