Character of Doped Holes in Nd1−xSrxNiO2

We investigate charge distribution in the recently discovered high-Tc superconductors, layered nickelates. With increasing value of charge-transfer energy, we observe the expected crossover from the cuprate to the local triplet regime upon hole doping. We find that the d−p Coulomb interaction Udp ma...

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Bibliographic Details
Published in:Condensed matter 2021-09, Vol.6 (3), p.33
Main Authors: Plienbumrung, Tharathep, Schmid, Michael Thobias, Daghofer, Maria, Oleś, Andrzej M.
Format: Article
Language:English
Subjects:
Antiferromagnetism
Charge distribution
Charge transfer
charge-transfer insulator
Doping
Energy
entanglement
high-Tc superconductivity
Mott insulator
Nickel
orbital symmetry
Oxygen
Rare earth elements
Superconductors
two-band model
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Summary:We investigate charge distribution in the recently discovered high-Tc superconductors, layered nickelates. With increasing value of charge-transfer energy, we observe the expected crossover from the cuprate to the local triplet regime upon hole doping. We find that the d−p Coulomb interaction Udp makes Zhang-Rice singlets less favorable, while the amplitude of local triplets at Ni ions is enhanced. By investigating the effective two-band model with orbitals of x2−y2 and s symmetries we show that antiferromagnetic interactions dominate for electron doping. The screened interactions for the s band suggest the importance of rare-earth atoms in superconducting nickelates.
ISSN:2410-3896
2410-3896
DOI:10.3390/condmat6030033