Sensitive dependence of pairing symmetry on Ni-$e_g$ crystal field splitting in the nickelate superconductor La$_3$Ni$_2$O$_7$

Fuente: arXiv
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Main Authors: Xia, Chengliang, Liu, Hongquan, Zhou, Shengjie, Chen, Hanghui
Format: Preprint
Published: 2023
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_version_ 1866909467566669824
author Xia, Chengliang
Liu, Hongquan
Zhou, Shengjie
Chen, Hanghui
author_facet Xia, Chengliang
Liu, Hongquan
Zhou, Shengjie
Chen, Hanghui
contents The discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under pressure has drawn great attention. However, consensus has not been reached on its pairing symmetry in theory. By combining density-functional-theory (DFT), maximally-localized-Wannier-function, and linearized gap equation with random-phase-approximation, we find that the pairing symmetry of La$_3$Ni$_2$O$_7$ is $d_{xy}$, if its DFT band structure is accurately reproduced by a downfolded bilayer two-orbital model. More importantly, we reveal that the pairing symmetry of La$_3$Ni$_2$O$_7$ sensitively depends on the crystal field splitting between two Ni-$e_g$ orbitals. A slight increase in Ni-$e_g$ crystal field splitting alters the pairing symmetry from $d_{xy}$ to $s_{\pm}$. Such a transition is associated with the change in inverse Fermi velocity and susceptibility, while the shape of Fermi surface remains almost unchanged. Our work highlights the sensitive dependence of pairing symmetry on low-energy electronic structure in multi-orbital superconductors, which calls for care in the downfolding procedure when one calculates their pairing symmetry.
format Preprint
id arxiv_https___arxiv_org_abs_2311_07316
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Sensitive dependence of pairing symmetry on Ni-$e_g$ crystal field splitting in the nickelate superconductor La$_3$Ni$_2$O$_7$
Xia, Chengliang
Liu, Hongquan
Zhou, Shengjie
Chen, Hanghui
Superconductivity
Materials Science
Strongly Correlated Electrons
The discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under pressure has drawn great attention. However, consensus has not been reached on its pairing symmetry in theory. By combining density-functional-theory (DFT), maximally-localized-Wannier-function, and linearized gap equation with random-phase-approximation, we find that the pairing symmetry of La$_3$Ni$_2$O$_7$ is $d_{xy}$, if its DFT band structure is accurately reproduced by a downfolded bilayer two-orbital model. More importantly, we reveal that the pairing symmetry of La$_3$Ni$_2$O$_7$ sensitively depends on the crystal field splitting between two Ni-$e_g$ orbitals. A slight increase in Ni-$e_g$ crystal field splitting alters the pairing symmetry from $d_{xy}$ to $s_{\pm}$. Such a transition is associated with the change in inverse Fermi velocity and susceptibility, while the shape of Fermi surface remains almost unchanged. Our work highlights the sensitive dependence of pairing symmetry on low-energy electronic structure in multi-orbital superconductors, which calls for care in the downfolding procedure when one calculates their pairing symmetry.
title Sensitive dependence of pairing symmetry on Ni-$e_g$ crystal field splitting in the nickelate superconductor La$_3$Ni$_2$O$_7$
topic Superconductivity
Materials Science
Strongly Correlated Electrons
url https://arxiv.org/abs/2311.07316