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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

We studied the relationship between the charge doping and the correlation,and its effects on the spectral function of the BaFe$_2$As$_2$ compound in theframework of the density functional theory combined with the dynamical meanfield theory (DFT+DMFT). The calculated mass enhancements showed that theelectronic correlation varies systematically from weak to strong when movingfrom the heavily electron-doped regime to the heavily hole-doped one. Since thecompound has a multi-orbital nature, the correlation is orbital-dependent andit increases as hole-doping increases. The Fe-3d$_{xy}$ (xy) orbital is muchmore correlated than the other orbitals, because it reaches its half-filledsituation and has a narrower energy scale around the Fermi energy. Our findingscan be consistently understood as the tendency of the heavily hole-dopedBaFe$_2$As$_2$ compound to an orbital-selective Mott phase (OSMP). Moreover,the fact that the superconducting state of the heavily hole-dopedBaFe$_2$As$_2$ is an extreme case of such a selective Mottness constrains thenon-trivial role of the electronic correlation in iron-pnictidesuperconductors. In addition, the calculated spectral function shows a behaviorthat is compatible with experimental results reported for every charge-dopedBaFe$_2$As$_2$ compound and clarifies the importance of the characterization ofits physical effects on the material.

Charge-doping-induced variation of BaFe$_2$As$_2$ electronic structure and the emerging physical effects