Electronic correlations, layer distinction, and electron doping in the alternating single-layer–trilayer La3Ni2O7 polymorph DOI
Harrison LaBollita, Soumen Bag, Jesse Kapeghian

et al.

Physical review. B./Physical review. B, Journal Year: 2024, Volume and Issue: 110(15)

Published: Oct. 21, 2024

We employ a density-functional theory plus dynamical mean-field framework to investigate the correlated electronic structure of alternating single-layer--trilayer (1313) polymorph ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$, which becomes superconducting under pressure. At ambient pressure, single layer is in Mott-insulating regime and low-energy physics dominated by trilayer block. Under gap single-layer block closes due orbital-selective physics, enabling charge transfer into This change effective doping could be linked higher ${T}_{c}$ obtained ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}\text{\ensuremath{-}}1313$ ($\ensuremath{\sim}80$ K) when compared nominal ${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$ compound ($\ensuremath{\sim}30$ K). conclude that correlation-driven differentiation crucial its aligns closely with (in spite apparent differences filling) rather than conventional bilayer ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$.

Language: Английский

Prediction of s± -Wave Superconductivity Enhanced by Electronic Doping in Trilayer Nickelates La4 DOI
Yang Zhang, Ling-Fang Lin, Adriana Moreo

et al.

Physical Review Letters, Journal Year: 2024, Volume and Issue: 133(13)

Published: Sept. 23, 2024

Motivated by the recently reported signatures of superconductivity in trilayer La_{4}Ni_{3}O_{10} under pressure, we comprehensively study this system using ab initio and random-phase approximation techniques. Without electronic interactions, Ni d_{3z^{2}-r^{2}} orbitals show a bonding-antibonding nonbonding splitting behavior via O p_{z} inducing "trimer" lattice La_{4}Ni_{3}O_{10}, analogous to dimers La_{3}Ni_{2}O_{7}. The Fermi surface consists three electron sheets with mixed e_{g} orbitals, hole an pocket made up orbital, suggesting two-orbital minimum model. In addition, find that superconducting pairing is induced s^{±}-wave channel due partial nesting between M=(π,π) centered pockets portions at Γ=(0,0) point. With changing density n, s^{±} instability remains leading its strength shows domelike maximum around n=4.2 (∼6.7% doping). disappears same as new 1313 stacking La_{3}Ni_{2}O_{7}, correlated vanishing arises from sublattice, high-T_{c} La_{3}Ni_{2}O_{7} does not originate monolayer structure. Furthermore, confirm experimentally proposed spin state in-plane (π, π) order antiferromagnetic coupling top bottom layers, zero middle layer.

Language: Английский

Citations

15
Frustrated superconductivity and intrinsic reduction of <i>T</i><sub><i>c</i></sub> in trilayer nickelate DOI
Qiong Qin, Jiangfan Wang,

Yi-feng Yang

et al.

The Innovation Materials, Journal Year: 2024, Volume and Issue: 2(4), P. 100102 - 100102

Published: Jan. 1, 2024

<p>Identifying the key factors controlling magnitude of <i>T</i><sub><i>c</i></sub> is critical importance in pursuit high-temperature superconductivity. In cuprates, reaches its maximal value trilayer structure, leading to belief that interlayer coupling may help promote pairing. contrast, for recently discovered nickelate superconductors under high pressure, maximum reduced from about 80 K bilayer La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> 30 La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub>. Motivated by this opposite trend, we propose an pairing scenario superconductivity Our theory reveals intrinsic frustration spin-singlet inner layer tends form with both two outer layers respectively, strong superconducting fluctuations between layers. This explains reduction compared La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub>. findings support a fundamental distinction multilayer and cuprate superconductors, ascribe it their different (interlayer versus intralayer) mechanisms. Furthermore, our predicts extended <i>s</i><sup><i>±</i></sup>-wave gap structures La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub>, varying signs possible nodes on Fermi pockets. We also find Josephson potentially interesting consequences be examined future experiments. work possibility rich novel physics pairing.</p>

Language: Английский

Citations

9
Bulk Superconductivity in Pressurized Trilayer Nickelate Pr4Ni3O10 Single Crystals DOI Creative Commons

Enkang Zhang,

Di Peng, Yinghao Zhu

et al.

Physical Review X, Journal Year: 2025, Volume and Issue: 15(2)

Published: April 8, 2025

The discovery of superconductivity in pressurized bilayer and trilayer nickelates has generated significant interest. However, their superconducting properties are often dependent on sample quality pressure conditions, complicating the interpretation underlying physics. Finding new systems with optimized bulk is therefore important for advancing our understanding these materials. Unlike cuprates, where compounds typically exhibit highest transition temperature (Tc), nickelate La3Ni2O7 thus far outperformed La4Ni3O10 reported Tc. Whether have achieved optimal Tc remains unclear, various scenarios suggesting different possibilities. Here, we report Pr4Ni3O10 single crystals, achieving a maximum onset Tc 40.5 K at 80.1 GPa, significantly exceeding 30 observed La4Ni3O10. nature confirmed by zero resistance strong diamagnetic response below Tc, volume fraction 80%. These findings establish as genuine high-temperature superconductors, provide insights into mechanisms driving superconductivity, point to promising route toward further enhancing nickelates. Published American Physical Society 2025

Language: Английский

Citations

1
s± -wave superconductivity in pressurized La4Ni3O10 DOI
Ming Zhang, Hongyi Sun, Yubo Liu

et al.

Physical review. B./Physical review. B, Journal Year: 2024, Volume and Issue: 110(18)

Published: Nov. 4, 2024

Recently, evidence of superconductivity (SC) has been reported in pressurized ${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$. Here we study its possible pairing mechanism and symmetry. Through fitting the density-functional-theory band structure, provide a six-orbital tight-binding model. In comparison with structure ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$, additional nonbonding ${d}_{{z}^{2}}$ is important to here. When multiorbital Hubbard interactions are included, our random-phase-approximation based yields an ${s}^{\ifmmode\pm\else\textpm\fi{}}$-wave SC. The dominant Fermi-surface nesting vector ${\mathbf{Q}}_{1}\ensuremath{\approx}(\ensuremath{\pi},\ensuremath{\pi})$ between $\ensuremath{\gamma}$ pocket contributed by bonding top ${\ensuremath{\alpha}}_{1}$ bottom, leading strongest amplitude opposite gap signs within two regimes. real-space interlayer ${d}_{{z}^{2}}$-orbital pairing. This pattern insensitive details. Upon electron doping, ${T}_{c}$ would increase promptly before system enters N\'eel-ordered spin-density-wave phase.

Language: Английский

Citations

7
Interlayer pairing-induced partially gapped Fermi surface in trilayer La4Ni3O10 superconductors DOI
Junkang Huang, Tao Zhou

Physical review. B./Physical review. B, Journal Year: 2024, Volume and Issue: 110(6)

Published: Aug. 9, 2024

We explore the superconducting pairing mechanism in trilayer ${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$ material through self-consistent mean-field calculations. Our findings demonstrate that intralayer is substantially weaker compared to interlayer one. Remarkably, state characterized by pairing, our results indicate presence of a partially gapped Fermi surface, fascinating occurrence attributable inequivalence between inner and outer conducting layers ${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$. Moreover, this Letter provides valuable insights into lower transition temperature observed compound, thereby deepening understanding its distinctive properties.

Language: Английский

Citations

5
Spin-density wave and superconductivity in La4Ni3O10 under ambient pressure DOI
Ming Zhang, Hongyi Sun, Yubo Liu

et al.

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(14)

Published: April 2, 2025

Citations

0
Superconductivity in La4Ni3O10 under pressure DOI
C. K. Lu,

Zhiming Pan,

Fan Yang

et al.

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(13)

Published: April 22, 2025

Citations

0
Trilayer multiorbital models of La4Ni3O10 DOI
Cui-Qun Chen, Zhihui Luo, Meng Wang

et al.

Physical review. B./Physical review. B, Journal Year: 2024, Volume and Issue: 110(1)

Published: July 2, 2024

Recently, the discovery of superconductivity in Ruddlesden-Popper (RP) La4Ni3O10 under pressure has further expanded realm nickelate-based superconductor family.In this paper, we performed a first-principle study for both P 21/a phase at ambient and I4/mmm high pressure, with U =0, 3.5 eV.Our results confirmed characteristic upward shift Ni-d z 2 bonding band pressure.Moreover, our analysis electronic spectrum orbital occupancy unveil dynamic mechanism reconstructions embedded critical dual effect.Based on results, proposed trilayer two-orbital model by performing Wannier downfolding Ni-eg orbitals.Our reveals four Fermi surface sheets α, β, β ′ , γ pockets, bearing resemblance to that bilayer La3Ni2O7.According model, calculated spin susceptibility random approximation shows d x -y is also important magnetic fluctuation RP series.Finally, energy sixteen-orbital direct dp, pp hoppings proposed, which implies lies charge-transfer picture within Zaanen-Sawatzky-Allen scheme.Our exposition multi-orbital models shed light theoretical correlation experimental exploration lower series.

Language: Английский

Citations

1
Unconventional pressure-dependent interorbital and interlayer doping in superconducting nickelates DOI
Yina Huang, David J. Singh

Physical review. B./Physical review. B, Journal Year: 2024, Volume and Issue: 110(17)

Published: Nov. 4, 2024

The discovery of nickelate superconductivity provided the first example a non-copper-based material with strongly analogous to cuprates. However, recent findings raise questions and inconsistencies around electron counts doping phase diagrams. We show using superconducting ${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$ that there are unconventional interlayer interorbital intrinsic effects render ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ occupation similar results enable consistent framework for superconductivity, while maintaining connection between cuprate superconductors.

Language: Английский

Citations

1
Electronic correlations, layer distinction, and electron doping in the alternating single-layer–trilayer La3Ni2O7 polymorph DOI
Harrison LaBollita, Soumen Bag, Jesse Kapeghian

et al.

Physical review. B./Physical review. B, Journal Year: 2024, Volume and Issue: 110(15)

Published: Oct. 21, 2024

We employ a density-functional theory plus dynamical mean-field framework to investigate the correlated electronic structure of alternating single-layer--trilayer (1313) polymorph ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$, which becomes superconducting under pressure. At ambient pressure, single layer is in Mott-insulating regime and low-energy physics dominated by trilayer block. Under gap single-layer block closes due orbital-selective physics, enabling charge transfer into This change effective doping could be linked higher ${T}_{c}$ obtained ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}\text{\ensuremath{-}}1313$ ($\ensuremath{\sim}80$ K) when compared nominal ${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$ compound ($\ensuremath{\sim}30$ K). conclude that correlation-driven differentiation crucial its aligns closely with (in spite apparent differences filling) rather than conventional bilayer ${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$.

Language: Английский

Citations

0