Quantum Statistics and Structural Topology Govern Thermal Transport in Two-Dimensional Monolayer Amorphous Carbon

Abstract: We investigate the quantum thermal conductivity (TC) of two-dimensional monolayer amorphous carbon (MAC). We employ three distinct amorphization algorithms to generate various possible MAC configurations, ranging from Zachariasen-type continuous random networks to nanocrystallites embedded in random networks. The local bond order parameter, q3, is used to quantify the amorphousness of the structures, and TC is computed as functions of q3 and temperature. This framework enables us to assess how structural topology, degree of amorphization, and quantum statistics contribute to heat conduction in a two-dimensional amorphous solid. At room temperature, TC values are predicted to range between 3.5 to 10 W/m/K, in agreement with recent experiments. Analysis of vibrational modes reveals that, while the modes of these 2D amorphous structures fall into the usual categories, namely, propagons, diffusons, and locons, their polarization characteristics display distinct behavior. Owing to the fully quantum mechanical framework, we examine both low- and high-temperature characteristics of this 2D amorphous system. By examining the classical limit, we show that classical treatments substantially overestimate the TC of MAC; namely, the quantum TC is less than half of the classical value at room temperature and up to nearly an order of magnitude lower at low temperatures.