Infinite-layer nickelates as Ni-e$$g$$ Hund’s metals
Abstract
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.
- Authors:
-
[1];
[2];
[2];
[4]
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Korea Advanced Institute Science and Technology (KAIST), Daejeon (Korea, Republic of)
- Brookhaven National Laboratory (BNL), Upton, NY (United States); Rutgers University, Newark, NJ (United States)
- Brookhaven National Laboratory (BNL), Upton, NY (United States); Korea Institute for Advanced Study (KIAS), Seoul (Korea, Republic of)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); National Research Foundation of Korea (NRF)
- OSTI Identifier:
- 2007529
- Report Number(s):
- BNL-224868-2023-JAAM
Journal ID: ISSN 2397-4648
- Grant/Contract Number:
- SC0012704; AC02-05CH11231; 2018R1A2B2005204; 2018M3D1A1058754
- Resource Type:
- Accepted Manuscript
- Journal Name:
- npj Quantum Materials
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2397-4648
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Electronic properties and materials; Superconducting properties and materials
Citation Formats
Kang, Byungkyun, Melnick, Corey, Semon, Patrick, Ryee, Siheon, Han, Myung Joon, Kotliar, Gabriel, and Choi, Sangkook. Infinite-layer nickelates as Ni-e$g$ Hund’s metals. United States: N. p., 2023.
Web. doi:10.1038/s41535-023-00568-5.
Kang, Byungkyun, Melnick, Corey, Semon, Patrick, Ryee, Siheon, Han, Myung Joon, Kotliar, Gabriel, & Choi, Sangkook. Infinite-layer nickelates as Ni-e$g$ Hund’s metals. United States. https://doi.org/10.1038/s41535-023-00568-5
Kang, Byungkyun, Melnick, Corey, Semon, Patrick, Ryee, Siheon, Han, Myung Joon, Kotliar, Gabriel, and Choi, Sangkook. Wed .
"Infinite-layer nickelates as Ni-e$g$ Hund’s metals". United States. https://doi.org/10.1038/s41535-023-00568-5. https://www.osti.gov/servlets/purl/2007529.
@article{osti_2007529,
title = {Infinite-layer nickelates as Ni-e$g$ Hund’s metals},
author = {Kang, Byungkyun and Melnick, Corey and Semon, Patrick and Ryee, Siheon and Han, Myung Joon and Kotliar, Gabriel and Choi, Sangkook},
abstractNote = {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.},
doi = {10.1038/s41535-023-00568-5},
journal = {npj Quantum Materials},
number = 1,
volume = 8,
place = {United States},
year = {Wed Jul 12 00:00:00 EDT 2023},
month = {Wed Jul 12 00:00:00 EDT 2023}
}
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