Heat Conduction Theory Including Phonon Coherence

Understanding and quantifying the fundamental physical property of coherence of thermal excitations is a long-standing and general problem in physics. The conventional theory, i.e., the phonon gas model, fails to describe coherence and its impact on thermal transport. In this Letter, we propose a general heat conduction formalism supported by theoretical arguments and direct atomic simulations, which takes into account both the conventional phonon gas model and the wave nature of thermal phonons. By naturally introducing wave packets in the heat flux from fundamental concepts, we derive an original thermal conductivity expression including coherence times and lifetimes. Our theory and simulations reveal two distinct types of coherence, i.e., intrinsic and mutual, appearing in two different temperature ranges. This contribution establishes a fundamental frame for understanding and quantifying the coherence of thermal phonons, which should have a general impact on the estimation of the thermal properties of solids.