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Hongdao Zhuge

Publications and source records attributed to Hongdao Zhuge.

3 recordsLinked to original sources

Inducing metal-insulator transition via disorder in correlated kagome systems

The metal-insulator transition is often accompanied by fascinating quantum phenomena, including superconducting domes, antiferromagnetic phase transitions, and quantum spin liquids. Concurrently, kagome materials are predominantly metallic, necessitating the realization of insulating states to fully exploit their significant potential in logic and optoelectronic device applications. To address this, we investigate the electronic transport and magnetic properties in correlated kagome systems with hopping disorder using the determinant quantum Monte Carlo method. Through comprehensive analysis of the kinetic energy, dc conductivity, and density of states at the Fermi level, we demonstrate that the cooperative interplay between hopping disorder and electron correlations promotes electron localization. Within the insulator, an increase in the disorder level reduces the Coulomb interaction required for the Mott transition. Additionally, while disorder partially suppresses antiferromagnetic ordering, it remains insufficient to induce a complete magnetic transition. Finally, we summarize two schematic regions distinguishing between antiferromagnetic metal, correlated Anderson insulator, and disordered Mott insulator. Our study advances the understanding of metal-insulator transition in kagome systems by disorder and provides actionable insights for experimental control of these transitions.

cond-mat.str-el

Precompression engineering of metal-insulator transition and magnetism in designed breathing kagome systems

Kagome materials featuring dispersive Dirac cones and topological flat bands exhibit unique electronic and magnetic properties. However, kagome compounds with tunable electrical conductivity remain scarce, which severely impedes their device applications. Here, based on density functional theory (DFT) and Boltzmann transport theory, we introduce the breathing effect into kagome materials $\mathrm{Nb_3XCl_7}$ (X = F, Cl, Br, I) via chemical precompression, thereby inducing a metal-insulator transition and magnetic variation. We determine that the band structures, optical absorption spectra and magnetic ground states agree well with experimental results at the effective correlation strength $U_{\text{eff}} = 2$ eV. The calculated conductivity and magnetic properties reveal that the monolayer $\mathrm{Nb_3Cl_8}$ and $\mathrm{Nb_3XCl_7}$ undergoes transitions from paramagnetic metals to Mott insulators at $U_{\text{eff}} = 1$ eV and $t_{\text{out}}/t_{\text{in}} = 0.6674$, respectively. Our detailed analysis establishes that the stronger breathing effect corresponds to enhanced chemical precompression, which reduces the region of free electron gas between intercell Nb atoms and facilitates the metal-insulator transition. Finally, we propose several viable synthesis routes for $\mathrm{Nb_3FCl_7}$, $\mathrm{Nb_3BrCl_7}$, and $\mathrm{Nb_3ICl_7}$, providing predictive guidance for experimental studies. Our study establishes a practical framework for investigating the breathing effect in correlated kagome systems and yields valuable insights into the mechanisms underlying metal-insulator transition and magnetic properties in real breathing kagome materials.

cond-mat.str-el

Impact of rotational symmetry breaking on $d$-wave superconductivity in Hubbard models for cuprate and nickelate superconductors

Recent experiments have revealed the substantial impact of broken rotational symmetry on the superconductivity. In the pursuit of understanding the role played by this symmetry breaking particularly in cuprate and nickelate superconductors on their superconductivity, we investigated two characteristic symmetry breaking mechanisms arising from (1) structurally orthogonal distortions from $C_4$ to $C_2$ symmetry and (2) anisotropic hybridization between $d_{x^2-y^2}$ orbital and an additional metallic band within the framework of the Hubbard model by employing dynamic cluster quantum Monte Carlo calculations. We discovered that the anisotropy is generically detrimental to the $d$-wave pairing so that the experimental findings of much lower superconducting $T_c$ of infinite-layer nickelates compared with the cuprates may be connected to the intrinsic anisotropy. Our exploration sheds light on the fundamental anisotropy factors governing superconductivity in nickelates and cuprates and offer insights contributing to the broader understanding of unconventional superconductors in anisotropic environment.

cond-mat.supr-con