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https://hdl.handle.net/20.500.14279/1493
Title: | Computational investigation of intrinsic localization in crystalline Si | Authors: | Voulgarakis, Nikolaos K. Hadjisavvas, George C. Kelires, Pantelis C. |
metadata.dc.contributor.other: | Κελίρης, Παντελής | Major Field of Science: | Engineering and Technology | Field Category: | Mechanical Engineering | Keywords: | Silicon;Mathematical analysis;Phonons | Issue Date: | 23-Mar-2004 | Source: | Physical Review B - Condensed Matter and Materials Physics, 2004, vol. 69, no. 11 | Volume: | 69 | Issue: | 11 | Journal: | Physical Review B | Abstract: | We investigate numerically existence and dynamical properties of intrinsic localization in crystalline silicon through the use of interatomic Tersoff force fields. We find a band of intrinsic localized modes (discrete breathers) each with lifetime of at least 60 ps in the spectral region 548-578 cm -1, located just above the zone end phonon frequency calculated at 536 cm-1. The localized modes extend to more than second neighbors and involve pair central-atom compressions in the range from 6.1% to 8.6% of the covalent bond length per atom. Finite temperature simulations show that they remain robust to room temperatures or higher with a typical lifetime equal to 6 ps. | URI: | https://hdl.handle.net/20.500.14279/1493 | ISSN: | 10980121 | DOI: | 10.1103/PhysRevB.69.113201 | Rights: | © The American Physical Society Attribution-NonCommercial-NoDerivs 3.0 United States |
Type: | Article | Affiliation: | University of Crete | Affiliation : | University of Crete Foundation for Research & Technology-Hellas (F.O.R.T.H.) |
Publication Type: | Peer Reviewed |
Appears in Collections: | Άρθρα/Articles |
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