Combining density functional theories to correctly describe the energy, lattice structure and electronic density of functional oxide perovskites

Functional oxide perovskites are the pillar of cutting-edge technological applications. Density functional theory (DFT) simulations are the theoretical methods of choice to understand and design perovskite materials. However, tests on the reliability of DFT to describe fundamental properties of oxid...

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Bibliographische Detailangaben

Hauptverfasser:	Williams, Kiel T, Wagner, Lucas K, Cazorla, Claudio, Gould, Tim
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Materials Science Physics - Other Condensed Matter
Online-Zugang:	Volltext bestellen
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