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MM: Fachverband Metall- und Materialphysik

MM 15: Poster Session

MM 15.8: Poster

Montag, 11. März 2013, 18:00–20:00, Poster E

Ab initio calculation of phonon tunneling in Au/Vacuum/Au by atomistic Green's function formalism — •Saeideh Edalati Boostan, Michael Czerner, Michael Bachmann, and Christian Heiliger — 1I. Physikalisches Institut, Justus Liebig University Giessen, D-35392, Germany

Although phonons require matter to exist recent experimental and theoretical papers have shown that phonons can cross vacuum gaps of a few angstroms wide. This effect is called phonon tunneling [1,2,3]. In this work we calculate phonon tunneling in Au(111)/Vacuum/Au(111) by using an ab initio approach based on density functional theory. The interactions between atoms are modeled by inter atomic force constants, which are calculated by the abinit software package in the harmonic approximation. These inter atomic force constants are used as an input into an atomistic Green's function (AGF) method in order to calculate the transmission function of the system as a function of the thickness of the vacuum gap.

[1] Igor Altfeder et al., Phys. Rev. Lett. 105, 166101 (2010)

[2] Mika Prunnila and Johanna Meltaus, Phys. Rev. Lett. 105,

125501 (2010)

[3] D. P. Sellan et al., Phys. Rev. B 85, 024118 (2012)