Phonon transport and thermal conductivity of diamond superlattice nanowires: a comparative study with SiGe superlattice nanowires

Abstract

Due to the coupling of a superlattice's longitudinal periodicity to a nanowire's radial confinement, the phonon transport properties of superlattice nanowires (SLNWs) are expected to be radically different from those of pristine nanowires. In this work, we present the comparative investigation of phonon transport and thermal conductivity between diamond SLNWs and SiGe SLNWs by using molecular dynamics simulations. In the case of period length ∼ 25 Å, the thermal conductivities of diamond SLNWs and SiGe SLNWs both increase linearly with increasing the period number, which implies the wave-like coherent phonons dominate the heat transport of SLNWs. In the case of period length ∼ 103 Å, the thermal conductivity of SiGe SLNWs is length-independent with increasing the period number, indicating that the particle-like incoherent phonons in SiGe SLNWs control the heat transport, because the phonon–phonon scattering causes phonons to not retain their phases and the coherence is destroyed before the reflection at interfaces. However in diamond SLNWs the coherent phonons still dominate heat conduction and the thermal conductivity is length-dependent, because the mean free path of phonon–phonon scattering in diamond SLNWs is much longer. The spatial distribution of phonon localized modes further supports these opinions. These results are helpful not only to understand the coherent and incoherent phonon transport, but also to modulate the thermal conductivity of SLNWs.