Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca2RuO4

This Letter uses density functional, dynamical mean field, and Landau-theory methods to elucidate the interplay of electronic and structural energetics in the Mott metal-insulator transition. A Landau-theory free energy is presented that incorporates the electronic energetics, the coupling of the el...

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Veröffentlicht in:	Physical review letters 2018-08, Vol.121 (6), p.067601
Hauptverfasser:	Han, Qiang, Millis, Andrew
Format:	Artikel
Sprache:	eng
Schlagworte:	Coupling Dependence Electron states Epitaxial growth Free energy Insulators Metal-insulator transition Substrates
Online-Zugang:	Volltext
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