Concepedia

A DFT analysis of enhanced structural, mechanical, elastic tensor analysis, optical, electronic, thermoelectric and magnetic characteristics of X2ScHgCl6 (X=Cs, Rb)

Nasarullah, Mubashir Nazar, Syed Muhammad Kazim Abbas Naqvi, Gamil A.A.M. Al-Hazmi, Yazen M. Alawaideh

Journal of Physics and Chemistry of Solids · 2025 · 10 citations · 84 references

DOI

Concepts

References

84

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

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Full-potential, linearized augmented plane wave programs for crystalline systems

Peter Blaha, Karlheinz Schwarz, P. Sorantin et al. · Computer Physics Communications · 1990 · 3.5K citations

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ELATE: an open-source online application for analysis and visualization of elastic tensors

Romain Gaillac, Pluton Pullumbi, François‐Xavier Coudert · Journal of Physics Condensed Matter · 2016 · 1.5K citations · Full text

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Microcracking in Ceramics Induced by Thermal Expansion or Elastic Anisotropy

Viggo Tvergaard, John W. Hutchinson · Journal of the American Ceramic Society · 1988 · 739 citations

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