arXiv subjects

Ziyue Qi

Publications and source records attributed to Ziyue Qi.

7 recordsLinked to original sources

arXiv2025

A Unified Symmetry Classification of Magnetic Orders via Spin Space Groups: Prediction of Coplanar Even-Wave Phases

Spin space groups (SSGs) impose fundamentally different constraints on magnetic configurations in real and reciprocal spaces. As a consequence, the correspondence between real-space and momentum-space spin arrangements is far richer than traditionally assumed. Building on the complete enumeration of SSGs, we develop a systematic, symmetry-based framework that classifies all possible spin arrangements allowed by these groups. This unified approach naturally incorporates conventional magnetic orders, altermagnetism, and p-wave magnetism as distinct symmetry classes. Crucially, our classification predicts a variety of novel magnetic phases, highlighted by the discovery of the coplanar even-wave magnet: a state that is non-collinear in real space but hosts a collinear even-wave spin polarization in k-space. Analysis of a minimal model reveals that this phase is characterized by non-quantized spin polarization and exhibits a novel mechanism for symmetry-enforced zero polarization on non-degenerate bands. Extending the framework from bulk crystals to layer SSGs appropriate for two-dimensional systems, we further predict layered counterparts and provide symmetry guidelines for designing bilayer coplanar p-wave and even-wave magnets. We further validate this finding through first-principles calculations and propose CoCrO4 as a promising candidate for its experimental realization, thereby demonstrating the completeness and predictive power of the SSG-based classification of magnetic orders.

cond-mat.mtrl-sci↗

arXiv2025

Chern-Selective multi-valley Flat Bands in Twisted Mono-Bilayer and Mono-Trilayer MoTe$_2$

The interplay between moiré flat bands originating from different valleys can give rise to a variety of exotic quantum phases. In this work, we investigate the electronic properties of twisted mono-bilayer (A-AB) and mono-trilayer (A-ABA) MoTe$_2$ using first-principles calculations and continuum models. Unlike previous studies on twisted bilayer systems, in which low-energy flat bands originate solely from the $K/K'$ valleys, in A-AB and A-ABA twisted MoTe$_2$ (\tmt) the moiré bands at low energies arise from both the $Γ$ and $K/K'$ valleys, with spin Chern numbers $C_s=0$ (for $Γ$) and $C_{\uparrow/\downarrow}=\pm1$ (for $K/K'$), respectively. We show that the multi-valley moiré flat bands are governed by interlayer-hybridization effects, and that different stacking configurations and thicknesses tune the relative energy alignment between the $Γ$ and $K$ valley moiré flat bands. By constructing valley-resolved continuum models and performing Wannierization for the low-energy moiré bands, we further uncover that the Berry curvature and quantum metric distributions can be effectively tuned by the layer number and stacking configuration. Unlike other moiré systems, where only one kind of valley influenced the low energy physics, the simultaneous appearance of two distinct types of valleys, with different symmetries, establish A-AB and A-ABA \tmt\ as ideal platforms for studying layer-controlled multi-valley physics.

cond-mat.mtrl-sci↗

arXiv2025

Anderson localization: a density matrix approach

Anderson localization is a quantum phenomenon in which disorder localizes electronic wavefunctions. In this work, we propose a new approach to study Anderson localization based on the density matrix formalism. Drawing an analogy to the standard transfer matrix method, we extract the localization length from the modular density matrix in quasi-one-dimensional systems. This approach successfully captures the metal-insulator transition in the three-dimensional Anderson model and in the two-dimensional Anderson model with spin-orbit coupling. It can be also readily extended to multiorbital systems. We further generalize the formalism to interacting systems, showing that the one-dimensional spinless attractive model exhibits the expected metallic phase, consistent with previous studies. More importantly, we demonstrate the existence of a two-dimensional metallic phase in the presence of Hubbard interactions and disorder. This method offers a new perspective on Anderson localization and its interplay with interactions.

cond-mat.dis-nn↗

arXiv2024

Universal Moiré-Model-Building Method without Fitting: Application to Twisted MoTe$_2$ and WSe$_2$

We develop a comprehensive method to construct analytical continuum models for moiré systems directly from first-principle calculations without any parameter fitting. The core idea of this method is to interpret the terms in the continuum model as a basis, allowing us to determine model parameters as coefficients of this basis through Gram-Schmidt orthogonalization. We apply our method to twisted MoTe$_2$ and WSe$_2$ with twist angles ranging from 2.13$^\circ$ to 3.89$^\circ$, producing continuum models that exhibit excellent agreement with both energy bands and wavefunctions obtained from first-principles calculations. We further propose a strategy to integrate out the higher-energy degrees of freedom to reduce the number of the parameters in the model without sacrificing the accuracy for low-energy bands. Our findings reveal that decreasing twist angles typically need an increasing number of harmonics in the moiré potentials to accurately replicate first-principles results. We provide parameter values for all derived continuum models, facilitating further robust many-body calculations. Our approach is general and applicable to any commensurate moiré materials accessible by first-principles calculations.

cond-mat.mes-hall↗

arXiv2024

Majorana zero modes under electron correlation

In this work, we perform a systematic investigation of the correlated topological superconductors (TSCs), especially their non-trivial Majorana zero modes (MZMs). Compared to the non-interacting MZMs, the emerged correlated MZMs become projected MZMs. To prove this, we study the topological superconducting nanowire under the Hubbard and Hatsugai-Kohmoto interactions. Both of them become correlated TSCs under a magnetic field. Their topological properties are numerically computed by the Wilson loop and entanglement spectrum. We successfully extract the projected MZMs connecting the ground state and excited state through exact diagonalization. We also extend our results to the spinful Kitaev chain. Our results can provide a new perspective and understanding of the correlated MZMs.

cond-mat.supr-con↗

arXiv2023

Moiré Fractional Chern Insulators II: First-principles Calculations and Continuum Models of Rhombohedral Graphene Superlattices

The experimental discovery of fractional Chern insulators (FCIs) in rhombohedral pentalayer graphene twisted on hexagonal boron nitride (hBN) has preceded theoretical prediction. Supported by large-scale first principles relaxation calculations at the experimental twist angle of $0.77^\circ$, we obtain an accurate continuum model of $n=3,4,5,6,7$ layer rhombohedral graphene-hBN moiré systems. Focusing on the pentalayer case, we analytically explain the robust $|C|=0,5$ Chern numbers seen in the low-energy single-particle bands and their flattening with displacement field, making use of a minimal two-flavor continuum Hamiltonian derived from the full model. We then predict nonzero valley Chern numbers at the $ν= -4,0$ insulators observed in experiment. Our analysis makes clear the importance of displacement field and the moiré potential in producing localized "heavy fermion" charge density in the top valence band, in addition to the nearly free conduction band. Lastly, we study doubly aligned devices as additional platforms for moiré FCIs with higher Chern number bands.

cond-mat.mes-hall↗

arXiv2023

Moiré Fractional Chern Insulators I: First-principles calculations and Continuum Models of Twisted Bilayer MoTe$_2$

Recent experiments observed fractional Chern insulators (FCI) in twisted bilayer MoTe$_2$ at zero magnetic field, yet even the single-particle model of this material is controversial, leading to unreliable predictions of the experimental phase diagram as discussed in [Yu et al., 2023]. In this light, we revisit the single-particle model of twisted bilayer MoTe$_2$. Utilizing large-scale density functional theory, we calculate the band structure of twisted AA-stacked bilayer MoTe$_2$ at various twist angles relevant to experiment. We find that a band inversion occurs near $4.41^\circ$ between the second and third bands. Our ab initio band structure is in qualitative agreement with [Wang et al., 2023], but shows important differences in the remote bands and in the $Γ$ valley. We incorporate two higher harmonic terms into the continuum model to capture the highest 3 valence bands per valley. We confirm that the two highest valence bands per valley have opposite Chern numbers with $|C|=1$ for small angles, and also use our model to predict a variety of Chern states in the remote bands accessible by displacement field. Finally, we perform DFT calculations and build models for the AB stacking configuration. Our work serves as a foundation for accurate determination of the correlated phases in twisted bilayer MoTe$_2$.

cond-mat.mes-hall↗