English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Using quasiparticle self-consistent $GW$ calculations, we re-examined theelectronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show thatthe correlation effects beyond the conventional LDA (local densityapproximation) and GGA (generalized gradient approximation) are reasonably wellcaptured by QS$GW$ self-energy without any {\it ad hoc} parameter or anyambiguity related to the double-counting and the downfolding issues. While thespectral weight transfer to the lower and upper Hubbard band is not observed,the noticeable bandwidth reduction and effective mass enhancement are obtained.Important features in the electronic structures that have been debated over thelast decades such as the photoemission spectra at around $-3$ eV inSr$_2$RuO$_4$ and the half-metallicity for SrRuO$_3$ are discussed in the lightof our QS$GW$ results and in comparison with the previous studies. Thepromising aspects of QS$GW$ are highlighted as the first-principles calculationmethod to describe the moderately correlated 4$d$ transition metal oxides alongwith its limitations.

Quasiparticle self-consistent GW calculation of Sr$_2$RuO$_4$ and SrRuO$_3$: