Concepedia

DFT study of optoelectronic and thermoelectric properties of cubic Ba2ZrMO6(M = Ce, Ti) double perovskites

Muhammad Zafarullah Kazim, Muhammad Yaseen, Shatha A. Aldaghfag, Mudassir Ishfaq, Mubashir Nazar, Misbah Misbah, Muhammad Zahid, R. Neffati

Journal of Solid State Chemistry · 2022 · 86 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

, , +16

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

BoltzTraP. A code for calculating band-structure dependent quantities

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

, , +4

High-performance bulk thermoelectrics with all-scale hierarchical architectures

Kanishka Biswas, Jiaqing He, Ivan Blum et al. · Nature · 2012 · 4.6K citations

, , +14

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

, , +10