Please use this identifier to cite or link to this item: https://ktisis.cut.ac.cy/handle/10488/7552
Title: Computational investigation of intrinsic localization in crystalline Si
Authors: Voulgarakis, Nikolaos K. 
Hadjisavvas, George C. 
Kelires, Pantelis C. 
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.
ISSN: 1098-0121
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.) 
Appears in Collections:Άρθρα/Articles

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