Concepedia

Ab initio study of structural, electronic and thermodynamic properties of tungstate double perovskites Ba2MWO6 (M=Mg, Ni, Zn)

O. Sahnoun, H. Bouhani-Benziane, M. Sahnoun, M. Driz, Claude Daul

Computational Materials Science · 2013 · 68 citations · 22 references

DOI

Concepts

References

22

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.2K citations

, , +16

WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. · 2019 · 3.4K citations

, , +12

Density-Functional Theory of the Energy Gap

L. J. Sham, M. Schlüter · Physical Review Letters · 1983 · 1.9K citations

, , +14