arXiv subjects

Songyuan Geng

Publications and source records attributed to Songyuan Geng.

4 recordsLinked to original sources

arXiv2026

Entwined lattice of atoms and anionic electrons in layered electride LaCl

Controlling the lattice geometry that governs electronic structure is a central theme in condensed-matter physics, yet in crystalline solids this geometry is usually fixed by the atomic framework. Electrides offer an alternative route to electronic structure design in which their excess electrons can organize into anionic electron lattice (AEL) and provide a lattice-like degree of freedom. Recent work has highlighted the standalone limit, where the AEL in YCl yields bands well described by the dice-lattice model. Here, using angle-resolved photoemission spectroscopy (ARPES), we show that LaCl, although isostructural to YCl, realizes a qualitatively different regime where the AEL is entwined with the La cation framework, producing a fully reconstructed electronic structure. Combining the ARPES result with tight-binding model analysis, we demonstrate that this radical divergence stems from the activation of direct hopping channels between the AEL and the La atomic lattice. This coupling reshapes the effective lattice geometry, reconstructs the electronic states, and modifies the associated Chern band topology, transforming the bipartite dice-lattice network in YCl into a tripartite structure in LaCl. Our findings demonstrate that the coupling between the AEL and the atomic lattice can actively shape the effective lattice geometry that governs the electronic structure. This coupling can act as a powerful tuning knob for electronic structure design that is inaccessible in conventional materials.

cond-mat.str-el↗

arXiv2026

Bi-S network origin of cation-disorder stability and dispersive band edges in AgBiS2

Cation-disordered AgBiS2 is a promising lead-free optoelectronic material, but both its ordered structure and the microscopic origin of its favorable electronic properties remain debated. Theory has proposed a mixed-coordination tendency with tetrahedral AgS4 and octahedral BiS6 units, whereas experiments mainly report octahedrally coordinated ordered and cation-disordered phases, together with local cation off-centering. Here, we combine a machine-learning interatomic potential with a deep-learning Hamiltonian to resolve the coupled structural and electronic evolution of AgBiS2 at large length scales. We identify the three-dimensional Bi-S network as the central structural motif governing both disorder stability and band-edge electronic states. At weak disorder, Ag/Bi exchange competes with the off-centering tendency of the Ag sublattice, producing strongly distorted local environments and convoluted diffraction signatures that hinder the identification of the ordered phase. With increasing disorder, BiS6-like units connect into a continuous Bi-S network, which stabilizes the rocksalt-like disordered phase. Despite strong cation disorder, AgBiS2 retains clear semiconductor-like band dispersion and develops a direct band gap. The connected Bi:p-S:p states supported by the Bi-S network preserve a dispersive conduction-band edge and a small electron effective mass. In contrast, mobile Ag disrupts the long-range periodicity of Ag-S bonding, leading to strongly localized valence states. These results clarify the structural controversy in ordered AgBiS2 and establish a unified physical picture of disorder stability and optoelectronic response in nonisovalent semiconductor alloys.

cond-mat.mtrl-sci↗

arXiv2026

YCl Electride as a Multi-Orbital Correlated Topological Dice Lattice System

The long-sought dice lattice flat band has recently been discovered for the first time in two-dimensional layered electride yttrium monochloride (YCl) [Nature Communications 17, 2213 (2026)]. While essential flat band features of YCl were captured by an idealized simple dice lattice model, we reveal in this Letter that a unique layer-orbital-valley coupling in YCl puts up a fundamental obstruction against a simple three-band dice lattice description of the flat band, and necessitates a multi-orbital description that faithfully represents the symmetry, topology, and correlation physics in the first-ever dice metal. Using an ab initio based multi-orbital Hubbard model with local interactions, we predict that the multi-orbital flat band supports a robust ferromagnetic ground state and electrically tunable correlated quantum anomalous Hall phases that are absent in an interacting single-orbital dice lattice. Our findings open a new avenue for exploring correlation and topology in electride systems.

cond-mat.mtrl-sci↗

arXiv2025

Experimental realization of dice-lattice flat band at the Fermi level in layered electride YCl

Flat electronic bands, where interactions among electrons overwhelm their kinetic energies, hold the promise for exotic correlation physics. The dice lattice has long been theorized as a host of flat bands with intriguing band topology. However, to date, no material has ever been found to host the characteristic flat bands of a dice lattice. Here, using angle-resolved photoemission spectroscopy (ARPES), we discover a dice-lattice flat band at $E_F$ in the van der Waals (vdW) electride [YCl]$^{2+}$: 2e-. In this system, excess valence electrons from Y deconfine from the cation framework to form an interstitial anionic electron lattice that constitutes the dice lattice. Our ARPES measurements unambiguously identify two sets of dice-lattice bands in YCl, including a nearly dispersionless band at the Fermi level. The flat bands and other dispersive bands observed in ARPES find excellent agreement with first-principles calculations, and theoretical analysis reveals that the near-$E_F$ electronic structure is well captured by a simple dice-lattice model. Our findings thus end the long quest of a real dice flat band material and establish vdW electride YCl as a prototype of dice metals. Our results further demonstrate the anionic electron lattice as a novel scheme for realizing lattice geometries and electronic structures rare to find in conventional crystalline systems.

cond-mat.str-el↗