Engineering PapersSearch

DOE OSTI · 2498434

Pairing tendencies in the doped Kitaev-Heisenberg model

Abstract

Here, we study the impact of hole doping on the Kitaev-Heisenberg model on the honeycomb lattice. We investigate the pairing tendencies and correlation functions in the framework of a t - J - K model using density matrix renormalization group calculations on three-leg cylinders. In the case of the pure Kitaev model, which realizes a quantum spin-liquid phase at half-filling, we find that binding of two holes only occurs at low values of the hopping, where the holes are slow. We have theoretically verified that pair formation occurs in the limit of immobile holes, where the pure Kitaev model remains exactly solvable. When we instead fix the hopping at an intermediate, more realistic, value, and vary the Heisenberg and Kitaev interaction strengths, we find pairing tendencies only in the Néel phase. This is in contrast to prior mean-field calculations, highlighting the importance of accounting for the kinetic energy of dopants in generalized Kitaev models. Interestingly, we also find signatures of pair-density wave formation over the studied range of model parameters, namely, a periodic modulation of the charge density as well as the spin-spin and pair-pair correlations in real space. Moreover, we present a comparative study of the different correlations as a function of doping. We finally discuss the potential for experimentally observing the studied physics in quantum materials and heterostructures.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Laurell, Pontus [Univ. of Tennessee, Knoxville, TN (United States); Univ. of Missouri, Columbia, MO (United States)] (ORCID:0000000235254145), Pandey, Bradraj [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000185406832), Halász, Gábor B. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Quantum Science Center (QSC)] (ORCID:0000000292948485), Okamoto, Satoshi [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000204937568), Alvarez, Gonzalo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000214968261), Dagotto, Elbio [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000160075694). 2024-12-20. Pairing tendencies in the doped Kitaev-Heisenberg model. https://doi.org/10.1103/physrevb.110.224518

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related reports

Cyclic moisture reactivation of calcium sorbents for long duration thermochemical energy storage

The transition to a flexible and reliable energy infrastructure, using electro-thermal energy generation technologies such as geothermal, concentrated solar power, and nuclear, usually demands simultaneous advancement of thermal energy storage (TES) to support on-demand electricity generation and industrial applications while mitigating the inherent intermittency of renewable energy sources and power outages from direct energy generation. Among TES technologies, thermochemical energy storage (TCES) based on calcium looping emerges as a compelling high-power energy storage candidate due to its high reaction enthalpy, compatibility with elevated operating temperatures, and abundance of low-cost materials. However, the long-term durability of calcium-based sorbents for TCES is hindered by surface sintering and particle aggregation, leading to performance degradation over repeated thermal cycles. This study explores a moisture hydration-based strategy to regenerate a degraded calcium sorbent and mitigate performance degradation for long duration TCES. The addition of moisture transforms calcium oxide into calcium hydroxide and produces intercalation water layers, associated with a regenerated surface area and reduced calcium oxide crystallite size. Both these effects are beneficial in restoring the sorbents' reactivity for carbonization. Additionally, an optimized hydration-assisted reactivation protocol balances the recovered energy storage capacity with heating penalty required for moisture removal from hydrated samples, resulting in an enhanced energy storage capacity up to 176% compared to benchmark sorbents that undergo cycling without reactivation after 60 cycles. In conclusion, these results highlight the potential of hydration-assisted reactivation to enhance the long-term performance of TCES, providing an effective pathway to advancing electro-thermal storage technologies.

36 MATERIALS SCIENCE