Concepedia

Evidence for bandwidth-control metal-insulator transition in Ti3O5

Xiankai Fu, Bo Yang, Wan-Qi Chen, Zhongsheng Jiang, Zongbin Li, Haile Yan, Xiang Zhao, Liang Zuo

Computational Materials Science · 2019 · 11 citations · 16 references

DOI

Concepts

References

16

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

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

Metal-insulator transitions

Masatoshi Imada, A. Fujimori, Yoshinori Tokura · Reviews of Modern Physics · 1998 · 7.5K citations

, , +16