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- W2326519883 abstract "Phonon modes in spherical silicon germanium alloy $(text{SiGe})$ nanocrystals containing up to 1147 atoms $(3.6phantom{rule{0.3em}{0ex}}text{nm})$ have been investigated as a function of the $text{Si}$ concentration. Microscopic details of phonon modes, including phonon frequencies and vibrational amplitudes, phonon density-of-states are calculated directly from the dynamic matrices. In particular, the dependence of phonon frequency on the configuration (such as a different ratio of $text{Si}$ to $text{Ge}$ atoms), and location (surface or interior) of clusters of atoms in $text{SiGe}$ alloy nanocrystals have been investigated. Low frequency surface phonons that are related to the spheroidal and torsional modes of a continuum sphere are identified and their frequency dependence on alloy concentration elucidated. The calculated results are compared with measured Raman spectra in bulk, thin films, and superlattices of $text{SiGe}$ alloy reported in the literature. Insights into the behavior of Raman peaks usually identified as $text{Ge}text{ensuremath{-}}text{Ge}$, $text{Si}text{ensuremath{-}}text{Si}$, and $text{Ge}text{ensuremath{-}}text{Si}$ optical phonon modes are presented." @default.
- W2326519883 created "2016-06-24" @default.
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- W2326519883 date "2004-06-30" @default.
- W2326519883 modified "2023-10-09" @default.
- W2326519883 title "Microscopic investigation of phonon modes in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mtext>SiGe</mml:mtext></mml:mrow></mml:math>alloy nanocrystals" @default.
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- W2326519883 doi "https://doi.org/10.1103/physrevb.69.235327" @default.
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