Concepedia

A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies

Aparna Dixit, Jisha Annie Abraham, Mumtaz Manzoor, Mohammad Altaf, Yedluri Anil Kumar, Ramesh Sharma

Materials Science and Engineering B · 2024 · 94 citations · 56 references

DOI

Concepts

References

56

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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WIEN2k: An APW+lo program for calculating the properties of solids

Peter Blaha, Karlheinz Schwarz, Fabien Tran et al. · The Journal of Chemical Physics · 2020 · 2.5K citations · Full text

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GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

M. A. Blanco, E. Francisco, Vı́ctor Luaña · Computer Physics Communications · 2004 · 2K citations

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Perdew, Burke, and Ernzerhof Reply:

J. P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1998 · 1.6K citations

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B-cation arrangements in double perovskites

Michael W. Anderson, Kevin B. Greenwood, George Taylor et al. · Progress in Solid State Chemistry · 1993 · 1.2K citations

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