2021/11/30 by Harrison LaBollita, Antía S. Botana, Antia S. Botana · 20 citations
Chemistry · Materials Science · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Chemistry #Condensed matter physics #Density functional theory #Doping #Electronic structure #Field (mathematics) #Layer (electronics) #Magnetic and transport properties of perovskites and related materials #Materials science #Mathematics #Mean field theory #Nanotechnology #Non-blocking I/O #Physics #Physics of Superconductivity and Magnetism #Pure mathematics #Quantum mechanics #Rare earth #Superconductivity #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.105.085118
published in Physical review. B./Physical review. B 105(8) (American Physical Society) · 11 pages, 11 figures
openalex publication_date 2022/02/09 · arxiv created 2022/02/28 · arxiv updated 2022/03/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
We present a comparative density-functional theory plus dynamical mean-field theory (DFT+DMFT) study of the two known superconducting members of the rare-earth (R) layered nickelate family: hole-doped RNiO2 (n=∞) and R6Ni5O12 (n=5). At the same nominal carrier concentration, these two materials exhibit nearly identical electronic structures and many-body correlations effects: mass enhancements, self-energies, and occupations. However, the fermiology of the quintuple-layer nickelate is more two-dimensional-like than its infinite-layer counterpart making this new superconducting quintuple-layer nickelate more cuprate-like without the need for chemical doping.