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Semi-coherent Heat Conduction in Bulk and Single-Nanowire Twinning Superlattices | | Aaron Porter
; Chan Tran
; Frederic Sansoz
; | | Date: |
31 Dec 2015 | | Abstract: | Coherent twin boundaries, which form periodic lamellar twinning in a wide
variety of semiconductor nanowires, are often viewed as near-perfect interfaces
with reduced phonon and electron scattering behaviors. Such unique
characteristics are of practical interest for high-performance thermoelectrics
and optoelectronics; however, insufficient evidence for the existence of
coherent heat conduction in nanotwinned materials poses significant limitations
for potential applications. Here, using atomistic simulations and ab-initio
calculations, we report direct computational observations showing intrinsic
nanotwin effects on thermal conductivity of twinning superlattices in
prototypical bulk and nanowire Si examples. Incoherent phonon transport is
identified for twin periods $geq$ 15.1 nm and coherent transport for twin
periods $leq$ 3.8 nm. Remarkably, a regime of semi-coherent phonon transport
is unveiled for twin periods spreading between these two limits, described by
quasi-ballistic phonons traveling through the interfaces with a Kapitza thermal
conductance 3 times higher than for incoherent heat conduction. Detailed
analysis of vibrational modes shows that modeling twin boundaries as
atomically-thin 6H-Si layers, rather than phonon scattering interfaces,
provides an accurate description of effective cross-plane and in-plane thermal
conductivities in semi-coherent twinning superlattices, as a function of the
twin period thickness. | | Source: | arXiv, 1512.9357 | | Services: | Forum | Review | PDF | Favorites | |
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