Concepedia

Structural, electronic and magnetic properties of metal–organic-framework perovskites [AmH][Mn(HCOO)<sub>3</sub>]: a first-principles study

Xiangjian Wang, Gaoyang Gou, Dawei Wang, Haiyan Xiao, Yang Liu, Ming Zhang, Brahim Dkhil, Xiaobing Ren, Xiaojie Lou

RSC Advances · 2016 · 11 citations · 45 references

DOI

Concepts

Abstract

Novel multiferroic Metal–Organic-Frameworks (MOFs) [AmH][M(HCOO)<sub>3</sub>] are investigated in structural, electronic and magnetic properties using density functional theory.

References

45

Generalized Gradient Approximation Made Simple

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

, , +16

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Electron-energy-loss spectra and the structural stability of nickel oxide:  An LSDA+U study

S. L. Dudarev, Gianluigi A. Botton, Sergey Y. Savrasov et al. · Physical review. B, Condensed matter · 1998 · 14.8K citations

, , +17

Origin of ferroelectricity in perovskite oxides

R. E. Cohen · Nature · 1992 · 3.1K citations

, , +12