arXiv subjects

Yanmei Zang

Publications and source records attributed to Yanmei Zang.

5 recordsLinked to original sources

arXiv2026

Higher-Order Topological Phase in the Two-Dimensional Type-IV Magnet MgCr$_2$O$_4$

Type-IV two-dimensional (2D) magnetism-a newly classified collinear magnetic phase featuring nonrelativistic spin degeneracy and spin-orbit-coupling-induced momentum-dependent spin splitting-extends the symmetry classification of collinear magnets, opening new opportunities for unconventional topological quantum states. Here, we reveal that the recently proposed two-dimensional type-IV 2D magnet MgCr$_2$O$_4$ hosts an intrinsic higher-order topological insulating phase, featuring $\mathcal{C}_{3z}$-protected corner states and a nontrivial rotational topological invariant of $\chi^{(3)}$ = $\{-2,4\}$ with a quantized fractional corner charge of $4e/3$. Spin-orbit coupling breaks the spin-degeneracy-enforcing symmetry $[C_{2}||M_z]$ while preserving the crystalline $\mathcal{C}_{3z}$ rotational symmetry that protects the higher-order topological phase, thereby enabling spin splitting to coexist with the nontrivial topology. Furthermore, the higher-order topological phase remains intact throughout a wide range of biaxial strains without band-gap closing and topological phase transition, demonstrating the robustness of the symmetry-protected topological state against external perturbations. Our work establishes a direct connection between type-IV magnetic system and higher-order topology, providing a new route for symmetry-engineered magnetic topological quantum states.

physics.comp-ph↗

arXiv2026

Accelerated Discovery of Nitrogen-Coordinated Dual-Atom Hydrogen Evolution Reaction Electrocatalysts via Machine Learning Potentials

The hydrogen evolution reaction (HER) is central to sustainable hydrogen production, and nitrogen coordinated dual atom catalysts (DACs) offer a promising route to noble metal activity at low cost. Yet their vast compositional and coordination design space remains underexplored, as density functional theory (DFT) screening at scale is prohibitive. Here, we map the HER landscape of graphene supported TM2@Nx-Gr DACs, screening 23 transition metals across 20 nitrogen coordination motifs using a machine learning potential (MLP) benchmarked against DFT. Intermediate coordination (2N to 4N) consistently yields near-optimal {\Delta}GH*, with Ti2@2Na, Mn2@2Na, Fe2@2Na, Cu2@2Na, Rh2@2Na, Zr2@2Na, Zr2@2Nb, Zr2@2Nc, Nb2@2Nc, Zr2@2Nd, Mn2@2Ne, Mn2@2Nf, Ti2@3Na, Au2@3Na, Fe2@3Na, Pd2@3Nb, Rh2@3Nc, Rh2@3Nd, Au2@3Nd, V2@4Na, Ti2@4Nb, Pd2@4Nb, Ti2@4Nc, Cr2@4Nd, Ni2@4Nd, Cu2@4Nd emerging as standout, synthesizable candidates, most exhibiting metallic or narrow gap (<0.25 eV) character. The MLP reaches near-DFT accuracy, with a mean absolute error of 80 meV for Gibbs binding free energies at orders of magnitude lower computational cost, establishing MLP driven screening as a practical engine for next-generation catalyst discovery.

cond-mat.mtrl-sci↗

arXiv2026

Floquet-Engineered Odd-Parity Altermagnetic Higher-Order Topology in a Two-Dimensional Antiferromagnet Cr$_2$CH$_2$

Periodic driving provides a platform to dynamically tailor quantum states of matter, yet its impact on symmetry-protected topological phases remains incompletely understood. Here, we demonstrate that periodic driving enables the realization of an odd-parity altermagnetic (AM) higher-order topological insulator (HOTI) phase in the Cr$_2$CH$_2$ monolayer. In equilibrium, Cr$_2$CH$_2$ is a 2D antiferromagnetic (AFM) HOTI protected by $\mathcal C_3$ rotational symmetry, characterized by a symmetry indicator $χ^{(3)}$ = $\{-2,1\}$ and robust corner states. Under circularly polarized light (CPL), the system develops a f-wave altermagnetic state governed by the symmetry $[C_{2}||\overline{3}_{001}]$ with odd-parity spin splitting. Despite substantial Floquet-induced band renormalization, the $\mathcal C_3$-protected corner states remain intact over a broad range of driving strengths, highlighting the altermagnetic higher-order topology under Floquet driving. As the light intensity increases, the system gradually evolves into an altermagnetic semimetallic state. These results establish a direct connection between magnetism and topology in a periodically driven AFM system, offering a route toward the control of coupled spin and topological transport.

physics.comp-ph↗

arXiv2026

Second-order topology in two-dimensional azulenoid kekulene carbon lattices

The discovery of higher-order topological insulator (HOTI) has established a new paradigm for understanding symmetry-constrained boundary electronic states. Here, based on first-principles calculations, we demonstrate the emergence of HOTI phase in organic lattices of two-dimensional azulenoid-kekulene-type carbon allotropes, namely AKC-[3,3] and AKC-[6,0]. Enabled by the $C_6$ rotational symmetry, the nontrivial bulk topology is confirmed through the topological invariant and fractionally quantized corner charge, giving $\{[M^{(I)}_{2}],[K^{(3)}_{2}]\}$ = $\{0,2\}$ and $Q_{\mathrm{corner}} = e/3$, respectively, accompanied by the emergence of exotic corner states in nanoflakes. Notably, the structural modifications are explored, revealing that in the derived structure PAK-[6,0], whose corner-localized states are preserved, highlighting the robustness of the higher-order topological phase. These findings highlight azulenoid-kekulene-based carbon allotropes as a promising platform to explore the interplay between structural design, crystalline symmetry, and higher-order topological boundary responses in two dimensional carbon systems.

cond-mat.mtrl-sci↗

arXiv2026

Stochastic Loop Corrections to Belief Propagation for Tensor Network Contraction

Tensor network contraction is a fundamental computational challenge underlying quantum many-body physics, statistical mechanics, and machine learning. Belief propagation (BP) provides an efficient approximate solution, but introduces systematic errors on graphs with loops. Here, we introduce a hybrid method that achieves accurate results by stochastically sampling loop corrections to BP and showcase our method by applying it to the two-dimensional ferromagnetic Ising model. For any pairwise Markov random field with symmetric edge potentials, our approach exploits an exact factorization of the partition function into the BP contribution and a loop correction factor summing over all valid loop configurations, weighted by edge weights derived directly from the potentials. We sample this sum using Markov chain Monte Carlo with moves that preserve the loop constraint, combined with umbrella sampling to ensure efficient exploration across all correlation strengths. Our stochastic approach provides unbiased estimates with controllable statistical error in any parameter regime.

cond-mat.str-el↗