Charge self-consistent density functional theory plus ghost rotationally-invariant slave-boson theory for correlated materials

We present a charge self-consistent density functional theory combined with the ghost-rotationally-invariant slave-boson (DFT+gRISB) formalism for studying correlated materials. This method is applied to SrVO\(_3\) and NiO, representing prototypical correlated metals and charge-transfer insulators....

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Veröffentlicht in:	arXiv.org 2024-06
Hauptverfasser:	Tsung-Han, Lee, Melnick, Corey, Adler, Ran, Sun, Xue, Yao, Yongxin, Lanatà, Nicola, Kotliar, Gabriel
Format:	Artikel
Sprache:	eng
Schlagworte:	Charge transfer Correlation Density functional theory Insulators Invariants Nickel oxides Physics - Materials Science Physics - Strongly Correlated Electrons
Online-Zugang:	Volltext
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