Phonon modes and Raman scattering in SixGe1-x nanocrystals: microscopic modelling

被引：3

作者：

Vasin, A. S. ^{[2
]}

Vikhrova, O. V. ^{[2
]}

Vasilevskiy, M. I. ^{[1
]}

机构：

[1] Univ Minho, Ctr Fis, Campus Gualtar, P-4710057 Braga, Portugal

[2] NI Lobachevskii State Univ, Dept Phys, NIFTI, Nizhnii Novgorod 603600, Russia

来源：

PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 10, NO 4 | 2013年 / 10卷 / 04期

关键词：

nanocrystal; alloying; phonon; Raman scattering; ALLOY NANOCRYSTALS; OPTICAL PHONONS; QUANTUM DOTS; SPECTROSCOPY;

D O I：

10.1002/pssc.201200801

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Si1-xGex nanocrystals (NCs) of different composition and size were generated using the Molecular Dynamics (MD) method by minimizing NC's total energy calculated using Tersoff's empirical potential and applying rigid boundary conditions. The dynamical matrix of the relaxed NC was constructed and the NC phonon modes were calculated. The localisation of the principal (Si-Si, Si-Ge and Ge-Ge) modes is investigated by analysing their inverse participation ratio. The dependence of the corresponding Raman spectra, obtained by employing the bond polarisability model, upon x and the NC size is presented and compared to previous calculated results and available experimental data. (C) 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

引用

页码：701 / 704

页数：4

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