Daeheon Kim | Searcharxiv

arXiv2026

Real-time dynamics of the two-step charge-density-wave transition in bulk 1T-TaS$_2$

The charge-density wave (CDW) of bulk 1T-TaS2 is built from Star-of-David (SoD) clusters tiling a sqrt{13} x sqrt{13} superlattice, and it melts through a two-step sequence accompanied by order-of-magnitude changes in resistivity. Whether these steps proceed by collapse of the SoD amplitude or by rearrangement of the SoD lattice has remained unresolved, because the relevant dynamics occur on length and time scales beyond the reach of ab initio molecular dynamics. Here we follow the CDW transitions in real time using a machine-learning force field trained on first-principles data, giving access to 1404-atom supercells over 5 ns. The two steps are mechanistically distinct. Above 200 K, SoD clusters translate coherently by transiently dissolving and re-forming about shifted centers, a deformation-formation process that preserves the local SoD amplitude while randomizing the interlayer stacking order and nucleating domain walls. Only near 350 K does the SoD distortion itself collapse. These results provide microscopic support for the recently proposed two-step model of the CDW transition and offer a framework for interpreting light-induced hidden phases and cavity-modified transition temperatures in 1T-TaS2.

cond-mat.mtrl-sci↗

arXiv2025

Demagnetization-Driven Nanoscale Chirality-Selective Thermal Switch

Chiral-lattice degrees of freedom can offer novel chirality-selective functionalities for thermotronic applications. Chiral phonons, carrying both heat and angular momentum, can emerge through a breaking of chiral degeneracy in the phonon bands, either via an intrinsic chiral crystal structure or by angular momentum transfer from photons or spins. This chiral controllability of the lattice dynamics enables a design of chiral thermo-devices by integrating ferromagnets with chiral materials. Here, we present a nanoscale chirality-selective thermal switch realized using a simple heterostructure composed of ferromagnetic [Co/Pt] multilayers and insulating chiral $\alpha$-SiO2, where an external magnetic field can control thermal transport properties. Our experimental results based on the magneto-optic thermometry reveal that the thermal conductivity of $\alpha$-SiO2 exhibits a clear dependence on both the magnetization direction of [Co/Pt] multilayers and the structural chirality of $\alpha$-SiO2, which is supported well by the first-principles-based molecular dynamic simulations. The magnetization-dependent thermal on/off ratio amounts to 1.07 at room temperature and increases to about 1.2 as temperature decreases to 50 K, due to a reduction of Umklapp phonon-phonon scattering rate in $\alpha$-SiO2. These findings provide the first experimental demonstration of the nanoscale chirality-selective thermal switch based on the ferromagnetic/chiral material heterostructure, highlighting its potential as a key technology for addressing heat dissipation challenges in nanoscale electronic devices.

cond-mat.mtrl-sci↗