Concepedia

DFT investigation on the electronic, optical and thermoelectric properties of novel half-Heusler compounds ScAuX (X = Si, Ge, Sn, Pb) for energy harvesting technologies

Jisha Annie Abraham, Ramesh Sharma, Sajad Ahmad, Aditya Dey

The European Physical Journal Plus · 2021 · 34 citations · 35 references

DOI

Concepts

References

35

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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The Compressibility of Media under Extreme Pressures

F. D. Murnaghan · Proceedings of the National Academy of Sciences · 1944 · 8.6K citations · Full text

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BoltzTraP. A code for calculating band-structure dependent quantities

Georg K. H. Madsen, David J. Singh · Computer Physics Communications · 2006 · 6K citations · Full text

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Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

Fabien Tran, Peter Blaha · Physical Review Letters · 2009 · 5.9K citations

, , +17

WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. · 2019 · 3.4K citations

, , +12