Concepedia

A computational insight into the Zintl SZr2N2 and BaAg2S2 phases for optoelectronic thermoelectric applications

Junaid Munir, Saif M. H. Qaid, Aamir Ali Aslam, Moeen Ud Din, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed, Muath Alkadi, Quratul Ain

Physica B Condensed Matter · 2023 · 40 citations · 48 references

DOI

Concepts

References

48

First principles phonon calculations in materials science

Atsushi Togo, Isao Tanaka · Scripta Materialia · 2015 · 11.3K citations · Full text

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Finite Elastic Strain of Cubic Crystals

Francis Birch · Physical Review · 1947 · 6.4K citations

, , +16

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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Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional

Jochen Heyd, Juan E. Peralta, Gustavo E. Scuseria et al. · The Journal of Chemical Physics · 2005 · 2K citations

, , +16

Phonon engineering through crystal chemistry

Eric S. Toberer, Alex Zevalkink, G. Jeffrey Snyder · Journal of Materials Chemistry · 2011 · 932 citations

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