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Shuaihua Zhang

Publications and source records attributed to Shuaihua Zhang.

2 recordsLinked to original sources

Flat-band ferrimagnetism in the edge-centered honeycomb antiferromagnet: From harmonic flat magnon to broad continuum

One of the most striking aspects of a flat band is not merely its lack of dispersion, but that it reduces the single-particle kinetic energy to a very small scale, allowing interaction effects to become the dominant energy scale in the low-energy physics. This picture has underpinned concepts such as flat-band ferromagnetism, flat-band superconductivity, and localized magnons. A more fundamental question, however, remains. Flat bands belong to the language of single-particle or linear-spin-wave physics; whether they survive as protected sharp excitations in a genuine many-body quantum magnet, or merely provide a skeleton of spectral weight left by the noninteracting picture, remains unclear. We study the spin-1/2 Heisenberg antiferromagnet on the edge-centered honeycomb lattice to examine this question. In contrast to flat bands in geometrically frustrated magnets such as kagome, this lattice has a 2:3 sublattice imbalance that renders the intersublattice coupling matrix rectangular, whose null space gives rise to a flat band at the single-particle level. The same imbalance stabilizes a ferrimagnetic ground state through the Lieb--Mattis theorem and leads to an edge-site-localized flat magnon in linear spin-wave theory. Combining linear spin-wave theory, sign-problem-free stochastic series expansion quantum Monte Carlo, and stochastic analytic continuation, we find that quantum fluctuations transform this harmonic flat mode into a broad continuum whose centroid is about 1.55J and nearly dispersionless along the high-symmetry path. Sublattice imbalance thus offers an unfrustrated route that unifies flat bands and ferrimagnetism, and suggests that flat-band geometry organizes many-body spectral weight rather than giving rise to a protected quasiparticle.

cond-mat.str-el↗

Theory-Guided, Machine-Learning-Accelerated Discovery of a 3D Carbon Nested Nodal-Surface Semimetal

Extending the Dirac physics of two-dimensional (2D) graphene into three dimensions (3D) carbon allotropes with higher-dimensional band degeneracies remains a central challenge in topological materials science. Here, we propose a general symmetry-engineering principle that systematically transforms graphene's Dirac cone into a 3D nodal surface via controlled layering and registry shift, and employ this principle to guide a machine-learning-accelerated inverse design. By integrating a crystal diffusion variational autoencoder(CDVAE) with a Crystal Transformer, we discover a novel, dynamically and mechanically stable carbon allotrope named \textbf{Netsene} (bct-C$_{24}$), which crystallizes in the body-centered tetragonal \textit{I4/mcm} space group. First-principles calculations confirm that Netsene is a unique nested nodal-surface semimetal: it hosts a complex, double-bowl-shaped nodal-surface system around the Fermi level, protected by non-symmorphic symmetries, alongside Dirac-like linear crossings with Fermi velocities comparable to graphene ($\sim 9 \times 10^5$~m/s). Its non-trivial bulk topology manifests in drumhead surface states, including a nearly flat band. Netsene provides a structurally robust, bulk platform that unifies ultrahigh carrier mobility, topological nodal surfaces, and potential correlation physics, demonstrating the power of theory-guided, machine-learning-accelerated discovery for engineering topological quantum phases.

cond-mat.mtrl-sci↗