Concepedia

First-principles study of structural, elastic, mechanical, electronic, magnetic, optical, and thermoelectric properties of CoFeTe half-heusler alloy

A. Samih, E. Salmani, Hussein Sabbah, R. El Fdil, Z. Fadil, Fohad Mabood Husain, Seong‐Cheol Kim, Chaitany Jayprakash Raorane

Journal of Magnetism and Magnetic Materials · 2024 · 10 citations · 102 references

DOI

Concepts

References

102

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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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

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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

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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 12.7K citations · Full text

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