arXiv subjects

Yu Ni

Publications and source records attributed to Yu Ni.

9 recordsLinked to original sources

arXiv2026

Anomalous Orbital Reconstruction Controlled by Interorbital Correlations and Hund's Coupling

The microscopic origin of anomalous orbital polarization in a class of low-dimensional correlated oxides remains unresolved due to the competition among crystal-field effects, electronic correlations, and orbital-dependent dimensionality. Using dynamical mean-field theory, we investigate a two orbital Hubbard model with orbital-dependent dimensionality and reveal the mechanism for anomalous orbital polarization through orbital reconstruction beyond the bare crystal-field picture. We identify interorbital Coulomb interaction-induced charge competition as a key microscopic mechanism responsible for the orbital redistribution, which leads first to an orbital-polarized correlated metal and subsequently to an orbital-polarized Mott insulator. We further find that Hund's coupling acts as a filling-dependent regulator of orbital reconstruction. It weakens the correlation-induced orbital redistribution at quarter filling by competing with interorbital charge fluctuations, while at half filling it completely suppresses the orbital-polarized state by stabilizing high-spin orbital-balanced configurations. These results provide a unified picture of correlation driven orbital reconstruction and highlight the relevance of interorbital interactions and Hund's coupling for understanding orbital phenomena in low-dimensional transition-metal oxides.

cond-mat.str-el↗

arXiv2026

Local Spin Excitations Mediate Quasiparticle Breakdown in the Orbital-Selective Mott Phase

The orbital-selective Mott phase (OSMP) is commonly described as a coexistence of localized and itinerant electrons within effectively decoupled orbitals, but emerging evidence for quasiparticle breakdown points to physics beyond this picture, whose microscopic origin remains unknown. Using dynamical mean-field theory for the two-band Hubbard model, we show that the spin-flip and Ising-type components of Hund's coupling generate local spin excitations (LSEs). These LSEs couple electrons between different orbitals, renormalize quasiparticle lifetimes and binding energies, and thereby destroy well-defined quasiparticles in the OSMP. Removing these two components of Hund's coupling restores coherent quasiparticle behavior and fully decouples the charge dynamics of the two bands. Our results therefore identify electronic coupling to LSEs as the fundamental mechanism driving quasiparticle breakdown within the OSMP.

cond-mat.str-el↗

arXiv2023

Quantitative determination of the orbital-selective Mott transition and quantum entanglement in the orbital-selective Mott phase

We examine the orbital-selective Mott transition in the non-hybridized two-band Hubbard model using the dynamical mean-field theory. We find that the orbital-selective Mott transition could be quantitatively depicted by the {local two-qubit fidelity}. Furthermore, within the orbital-selective Mott phase, the combined characteristics of the two orbitals lead to the presence of quantum entanglement, which is characterized by the non-semi-integer values of local two-qubit fidelity. It is demonstrated that the Hund's coupling results in the ground states of both wide and narrow bands exhibiting the specific superposition states, indicating the existence of quantum entanglement within orbital-selective Mott phase. Without Hund's coupling, there are no specific superposition states, nor does quantum entanglement occur within the orbital-selective Mott phase. The mechanisms underlying the orbital-selective Mott transition show prominent variations depending on the presence or absence of Hund's coupling and its transverse terms.

cond-mat.str-el↗

arXiv2022

Missing data interpolation in integrative multi-cohort analysis with disparate covariate information

Integrative analysis of datasets generated by multiple cohorts is a widely-used approach for increasing sample size, precision of population estimators, and generalizability of analysis results in epidemiological studies. However, often each individual cohort dataset does not have all variables of interest for an integrative analysis collected as a part of an original study. Such cohort-level missingness poses methodological challenges to the integrative analysis since missing variables have traditionally: (1) been removed from the data for complete case analysis; or (2) been completed by missing data interpolation techniques using data with the same covariate distribution from other studies. In most integrative-analysis studies, neither approach is optimal as it leads to either loosing the majority of study covariates or challenges in specifying the cohorts following the same distributions. We propose a novel approach to identify the studies with same distributions that could be used for completing the cohort-level missing information. Our methodology relies on (1) identifying sub-groups of cohorts with similar covariate distributions using cohort identity random forest prediction models followed by clustering; and then (2) applying a recursive pairwise distribution test for high dimensional data to these sub-groups. Extensive simulation studies show that cohorts with the same distribution are correctly grouped together in almost all simulation settings. Our methods' application to two ECHO-wide Cohort Studies reveals that the cohorts grouped together reflect the similarities in study design. The methods are implemented in R software package relate.

stat.ME↗

arXiv2021

Evolution between two orbital-selective Mott phases driven by interorbital hopping

The effect of interorbital hopping on the orbital selective Mottness in a two-band correlation system is investigated by using the dynamical mean-field theory with the Lanczos method as impurity solver. We construct the phase diagram of the two-orbital Hubbard model with interorbital hopping ($t_{12})$, where the orbital selective Mott phases (OSMP) show different evolution trends. We find that the negative interorbital hopping ($t_{12}<0$) can enhance the OSMP regime upon tuning the effective bandwidth ratio. On the contrary, for the cases with positive interorbital hopping ($t_{12}>0$), the OSMP region becomes narrow with the increase of orbital hybridization until it disappears. It is also shown that a new OSMP emerges for a large enough positive interorbital hopping, owing to the role exchange of wide and narrow effective orbitals caused by the large $t_{12}$. Our results are also applicable to the hole-overdoped Ba$_2$CuO$_{4-\delta}$ superconductor, which is an orbital-selective Mott compound at half-filling.

cond-mat.str-el↗

arXiv2021

Quantitative Determination of the Critical Points of Mott Metal-Insulator Transition in Strongly Correlated Systems

Mottness is at the heart of the essential physics in a strongly correlated system as many novel quantum phenomena occur in the metallic phase near the Mott metal-insulator transition. We investigate the Mott transition in a Hubbard model by using the dynamical mean-field theory and introduce the local quantum state fidelity to depict the Mott metal-insulator transition. The local quantum state fidelity provides a convenient approach for determining the critical point of the Mott transition. Additionally, it presents a consistent description of the two distinct forms of the Mott transition points.

cond-mat.str-el↗

arXiv2019

Electronic correlation-driven orbital polarization transitions in the orbital-selective Mott compound Ba$_2$CuO$_{4-\delta}$

The electronic states near the Fermi level of recently discovered superconductor Ba$_2$CuO$_{4-\delta}$ consist primarily of the Cu $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals. We investigate the electronic correlation effect and the orbital polarization of an effective two-orbital Hubbard model mimicking the low-energy physics of Ba$_2$CuO$_{4-\delta}$ in the hole-rich regime by utilizing the dynamical mean-field theory with the Lanczos method as the impurity solver. We find that the hole-overdoped Ba$_2$CuO$_{4-\delta}$ with $3d^8$ (Cu$^{3+}$) is in the orbital-selective Mott phase (OSMP) at half-filling, and the typical two-orbital feature remains in Ba$_2$CuO$_{4-\delta}$ when the electron filling approaches $n_e\sim 2.5$, which closely approximates to the experimental hole doping for the emergence of the high-$T_c$ superconductivity. We also obtain that the orbital polarization is very stable in the OSMP, and the multiorbital correlation can drive orbital polarization transitions. These results indicate that in hole-overdoped Ba$_2$CuO$_{4-\delta}$ the OSMP physics and orbital polarization, local magnetic moment, and spin or orbital fluctuations still exist. We propose that our present results are also applicable to Sr$_2$CuO$_{4-\delta}$ and other two-orbital cuprates, demanding an unconventional multiorbital superconducting scenario in hole-overdoped high-$T_c$ cuprates.

cond-mat.str-el↗

arXiv2019

A dynamical mean-field study of orbital-selective Mott phase enhanced by next-nearest neighbor hopping

The dynamical mean-field theory is employed to study the orbital-selective Mott transition (OSMT) of the two-orbital Hubbard model with nearest neighbor hopping and next-nearest neighbor (NNN) hopping. The NNN hopping breaks the particle-hole symmetry at half filling and gives rise to an asymmetric density of states (DOS). Our calculations show that the broken symmetry of DOS benefits the OSMT, where the region of the orbital-selective Mott phase significantly extends with the increasing NNN hopping integral. We also find that Hund's rule coupling promotes OSMT by blocking the orbital fluctuations, but the influence of NNN hopping is more remarkable.

cond-mat.str-el↗

arXiv2019

Doublon-holon excitations split by Hund's rule coupling within the orbital-selective Mott phase

Multiorbital interactions have the capacity to produce an interesting kind of doublon-holon bound state that consists of a single-hole state in one band and a doubly-occupied state in another band. Interband doublon-holon pair excitations in the two-orbital Hubbard model are studied by using dynamical mean-field theory with the Lanczos method as the impurity solver. We find that the interband bound states may provide several in-gap quasiparticle peaks in the density of states of the narrow band in the orbital-selective Mott phase with a small Hund's rule coupling ($J$). There exists a corresponding energy relation between the in-gap states of the narrow band and the peaks in the excitation spectrum of the doublon for the wide band. We also find that the spin flip and pair-hopping Hund interactions can divide one quasiparticle peak into two peaks, where the splitting energy increases linearly with increasing $J$. Strong Hund's rule coupling can move the interband doublon-holon pair excitations outside the Mott gap and restrict the bound states by suppressing the orbital selectivity of the doubly-occupied and single-hole states.

cond-mat.str-el↗