Concepedia

Exploring Rare-Earth compound ErMn2Si2 for thermoelectric and photoelectrochemical applications using Density functional theory

Junaid Khan, Younas Iqbal, Fida Rehman, Junaid Alam, Muhammad Rahim, Sajjad Hussain, Muhammad Nawaz Sharif, Matiullah Khan

Journal of Magnetism and Magnetic Materials · 2024 · 20 citations · 55 references

DOI

Concepts

References

55

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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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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Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators

A. I. Liechtenstein, Jan Zaanen · Physical review. B, Condensed matter · 1995 · 4.8K citations · Full text

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"Special points for Brillouin-zone integrations"—a reply

J.D. Pack, Hendrik J. Monkhorst · Physical review. B, Solid state · 1977 · 3.3K citations

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Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO

O. Bengone, M. Alouani, Peter E. Blöchl et al. · Physical review. B, Condensed matter · 2000 · 572 citations · Full text

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