Evolution of correlated electronic states of La2NiO4 under hydrostatic pressure
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866908665618890752 |
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| author | Tang, Shu-Hong Wang, Han-Yu Liu, Da-Yong Lu, Feng Wang, Wei-Hua Lin, H. -Q. Zou, Liang-Jian |
| author_facet | Tang, Shu-Hong Wang, Han-Yu Liu, Da-Yong Lu, Feng Wang, Wei-Hua Lin, H. -Q. Zou, Liang-Jian |
| contents | We elucidate the electronic structure and quantum many-body instabilities of the monolayer nickelate La2NiO4 under hydrostatic pressure using a combination of density functional theory, dynamical mean-field theory (DFT+DMFT), and random phase approximation (RPA). Our DFT+DMFT calculations reveal non-Fermi-liquid behavior and coherence loss near the Fermi level at low pressures, driven by strong electron correlations within the Ni-e_g orbital manifold, which is analogous to the low-energy electronic properties observed in La3Ni2O7. However, multi-orbital spin susceptibility analysis demonstrates an exceptionally suppressed critical Stoner parameter U_c (about 0.4~0.7 eV), indicating robust magnetic order that dominates the ground state and precludes superconductivity in the pristine system. Below U_c, superconducting instabilities exhibit a pressure-driven symmetry transition: the d_(x2-y2)-wave pairing prevails at ambient and low pressure, while the s+g-wave symmetry occurs above 75 GPa. This transition is attributed to pressure-induced self-doping effect. The high-angular-momentum g-wave component incurs significant energetic penalties, rendering high-Tc superconductivity unlikely. We conclude that the absence of superconductivity in La2NiO4 arises from its robust intrinsic magnetism and the unfavorable pairing symmetry under pressure, suggesting that alternative routes-such as chemical doping or epitaxial strain-are necessary to suppress magnetism and unlock superconducting states. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_15486 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Evolution of correlated electronic states of La2NiO4 under hydrostatic pressure Tang, Shu-Hong Wang, Han-Yu Liu, Da-Yong Lu, Feng Wang, Wei-Hua Lin, H. -Q. Zou, Liang-Jian Strongly Correlated Electrons Superconductivity We elucidate the electronic structure and quantum many-body instabilities of the monolayer nickelate La2NiO4 under hydrostatic pressure using a combination of density functional theory, dynamical mean-field theory (DFT+DMFT), and random phase approximation (RPA). Our DFT+DMFT calculations reveal non-Fermi-liquid behavior and coherence loss near the Fermi level at low pressures, driven by strong electron correlations within the Ni-e_g orbital manifold, which is analogous to the low-energy electronic properties observed in La3Ni2O7. However, multi-orbital spin susceptibility analysis demonstrates an exceptionally suppressed critical Stoner parameter U_c (about 0.4~0.7 eV), indicating robust magnetic order that dominates the ground state and precludes superconductivity in the pristine system. Below U_c, superconducting instabilities exhibit a pressure-driven symmetry transition: the d_(x2-y2)-wave pairing prevails at ambient and low pressure, while the s+g-wave symmetry occurs above 75 GPa. This transition is attributed to pressure-induced self-doping effect. The high-angular-momentum g-wave component incurs significant energetic penalties, rendering high-Tc superconductivity unlikely. We conclude that the absence of superconductivity in La2NiO4 arises from its robust intrinsic magnetism and the unfavorable pairing symmetry under pressure, suggesting that alternative routes-such as chemical doping or epitaxial strain-are necessary to suppress magnetism and unlock superconducting states. |
| title | Evolution of correlated electronic states of La2NiO4 under hydrostatic pressure |
| topic | Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2511.15486 |