First-principles calculations of phonon transport across a vacuum gap

Abstract

Phonon transport across a vacuum gap separating intrinsic silicon crystals is predicted via the atomistic Green's function method combined with first-principles calculations of all interatomic force constants. The overlap of electron wave functions in the vacuum gap generates weak covalent interaction between the silicon surfaces, thus creating a pathway for phonons. Phonon transport, dominated by acoustic modes, exceeds near-field radiation for vacuum gaps smaller than ~ 1 nm. The first-principles-based approach proposed in this work is critical to accurately quantify the contribution of phonon transport to heat transfer in the extreme near field.

arXiv comment31 pages, 4 figures, 4 supplemental figures

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Cited by in corpus (10)

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• Role of Nottingham effect in the heat transfer in extreme near-field regime
• Atomistic modeling of extreme near-field heat transport across nanogaps between two polar dielectric materials
• Orientation effects on near-field radiative heat transfer between complex-shaped dielectric particles
• Extreme near-field heat transfer between silica surfaces
• Radiative heat exchange driven by acoustic vibration modes between two solids at the atomic scale
• Complete tunneling of acoustic waves between closely spaced piezoelectric crystals
• Electronic heat tunneling between two metals beyond the WKB approximation
• Thermoelectric response enhanced by surface/edge states in physical nanogaps
• Crystal Orientation Dependence of Extreme Near-Field Heat Transfer between Polar Materials Governed by Surface Phonon Modes