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Infinite-layer nickelates as Ni-e$$g$$ Hund’s metals

Journal Article · · npj Quantum Materials
 [1];  [1];  [1];  [2];  [2];  [3];  [4]
  1. Brookhaven National Laboratory (BNL), Upton, NY (United States)
  2. Korea Advanced Institute Science and Technology (KAIST), Daejeon (Korea, Republic of)
  3. Brookhaven National Laboratory (BNL), Upton, NY (United States); Rutgers University, Newark, NJ (United States)
  4. Brookhaven National Laboratory (BNL), Upton, NY (United States); Korea Institute for Advanced Study (KIAS), Seoul (Korea, Republic of)
The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd1-$$δ$$Sr$$δ$$NiO2 draws strong attention to correlated quantum materials. From a theoretical viewpoint, this class of unconventional superconducting materials provides an opportunity to unveil a physics hidden in correlated quantum materials. Here we study the temperature and doping dependence of the local spectrum as well as the charge, spin and orbital susceptibilities from first principles. By using ab initio LQSGW+DMFT methodology, we show that onsite Hund’s coupling in Ni-$$d$$ orbitals gives rise to multiple signatures of Hund’s metallic phase in Ni-e$$g$$ orbitals. The proposed picture of the nickelates as an e$$g$$ (two orbital) Hund’s metal differs from the picture of the Fe-based superconductors as a five orbital Hund’s metal as well as the picture of the cuprates as doped charge transfer insulators. Our finding uncovers a new class of the Hund’s metals and has potential implications for the broad range of correlated two orbital systems away from half-filling.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
National Research Foundation of Korea (NRF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
Grant/Contract Number:
AC02-05CH11231; SC0012704
OSTI ID:
2007529
Report Number(s):
BNL--224868-2023-JAAM
Journal Information:
npj Quantum Materials, Journal Name: npj Quantum Materials Journal Issue: 1 Vol. 8; ISSN 2397-4648
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

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