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

The recent discovery of high-T$_{c}$ superconductivity (HTS) in Sr-dopedNdNiO$_2$ has sparked a renewed interest in investigating nickelates as cupratecounterparts. Parent cuprates [Cu$^{2+}$: d$^9$] are antiferromagneticcharge-transfer insulators with the involvement of a single d$_{x^2-y^2}$ bandaround the Fermi level and strong $p-d$ hybridization. In contrast,isoelectronic NdNiO$_2$ [Ni$^+$: d$^9$] is metallic with a d$_{x^2-y^2}$ bandself-doped by Nd-d states. Using first-principles calculations, we study theeffect of Sr-doping in the electronic and magnetic properties of infinite-layernickelates as well as the nature of the holes. We find that hole doping tendsto make the material more cuprate-like as it minimizes the self-doping effect,it enhances the $p-d$ hybridization, and it produces low-spin (S=0,non-magnetic) Ni$^{2+}$ dopants in analogy with the S=0 Zhang-Rice singletsthat appear in cuprates.

Effects of Sr-doping on the electronic and spin-state properties of infinite-layer nickelates