Phys. Rev. Lett. 92, 035505 (2004) [4 pages]High-Frequency Vibrational Properties of Metallic Nanocrystalline Grain BoundariesReceived 26 May 2003; published 23 January 2004 The high-frequency phonon properties of a computer generated nanocrystalline (nc) fcc Ni with a mean grain size of 5 nm are investigated by directly calculating the on-site phonon Green’s function using a recursion technique based on a continued fraction representation. It is found that the high-frequency tail, observed in both experiment and previous simulation work, arises primarily from spatially confined vibrational modes forming within the nc grain boundary regions. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.92.035505
DOI:
10.1103/PhysRevLett.92.035505
PACS:
81.07.Bc, 02.70.Ns, 63.22.+m
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