Dongliang Mao | Searcharxiv

arXiv2026

Charge-Density-Wave Phase Selection by Janus-Induced Intrinsic Strain in Monolayer NbSSiAs$_2$

Controlling phase selection among competing charge-density-wave (CDW) instabilities remains challenging in two-dimensional materials. Here, first-principles calculations show that Janus-induced intrinsic tensile strain redirects the off-M soft-mode tendency of NbS$_2$ to the M point in NbSSiAs$_2$, selecting a $2\times2$ CDW reconstruction. Electron-phonon coupling analysis identifies momentum-selective coupling between Nb-derived states and a longitudinal acoustic mode as the origin of the M-point instability. The reconstructed phase hosts two nearly degenerate Nb-trimerized configurations whose relative stability is tuned by biaxial strain. Both configurations retain phonon-mediated superconductivity on the 6-7 K scale, indicating the coexistence of CDW order and superconductivity. Compressive strain favors the 1+3-hollow configuration and induces a band-inverted, $Z_2$-nontrivial state while preserving superconductivity. Together, these results identify Janus-induced intrinsic strain as an internal structural route for CDW phase selection, whereas external strain provides access to a regime in which CDW order, topology, and superconductivity coexist.

cond-mat.mtrl-sci↗

arXiv2026

Weyl-Dirac nodal line phonons with type-selective surface states

The band complex formed by multiple topological states has attracted extensive attention for the emergent properties produced by the interplay among the constituent states. Here, based on group theory analysis, we present a scheme for rapidly identifying the Weyl-Dirac nodal lines (a complex of Weyl and Dirac nodal lines) in bosonic systems. We find only 5 of the 230 space groups host Weyl-Dirac nodal line phonons. Notably, the Dirac nodal line resides along the high-symmetry line, whereas the Weyl nodal line is distributed on the high-symmetry plane and is interconnected with the Dirac nodal line, jointly forming a composite nodal network structure. Unlike traditional nodal nets, this nodal network exhibits markedly distinct surface states on different surfaces, which can be attributed to the fundamental differences in the topological properties between the Weyl and Dirac nodal lines. This unique property thus allows the material to present distinct surface states in a termination-selective manner. Furthermore, by first-principles calculations, we identify the materials NdRhO$_{3}$ and ZnSe$_{2}$O$_{5}$ as candidate examples to elaborate the Weyl-Dirac nodal line and their related topological features. Our work provides an insight for exploring and leveraging topological properties in systems with coexisting multiple topological states.

cond-mat.mes-hall↗