Concepedia

First-principles study of structural, elastic, optoelectronic and thermoelectric properties of B-site-ordered quadruple perovskite Ba4Bi3NaO12

Mohamed Khuili, Malak Bounbaâ, Nejma Fazouan, Hassna Abou Elmakarim, Yassine Sadiki, Samah Al‐Qaisi, Isam Allaoui, E. Maskar, El Hadi Chahid, Kenza Maher,

Journal of Solid State Chemistry · 2023 · 44 citations · 27 references

DOI

Concepts

References

27

<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data

Koichi Momma, Fujio Izumi · Journal of Applied Crystallography · 2011 · 25.2K citations

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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

Universal Elastic Anisotropy Index

Shivakumar I. Ranganathan, Martin Ostoja‐Starzewski · Physical Review Letters · 2008 · 2.6K citations

, , +17

Electronic structure calculations of solids using the WIEN2k package for material sciences

Karlheinz Schwarz, Peter Blaha, Georg K. H. Madsen · Computer Physics Communications · 2002 · 2K citations

, , +16

Calculated elastic properties of M2AlC (M=Ti, V, Cr, Nb and Ta)

Zhimei Sun, Sa Li, Rajeev Ahuja et al. · Solid State Communications · 2003 · 495 citations

, , +12