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Theoretical Investigation Of The Surface Vibrational Modes In Germanium Nanocrystals, Shang-Fen Ren, Wei Cheng, Peter Y. Yu
Theoretical Investigation Of The Surface Vibrational Modes In Germanium Nanocrystals, Shang-Fen Ren, Wei Cheng, Peter Y. Yu
Faculty publications – Physics
We have used a microscopic lattice dynamical model to study phonon modes in germanium (Ge) NC with size varying between 47 to 7289 atoms (diametersimilar to6.8 nm). By separating these atoms into bulk and surface atoms we have found that surface modes can exist in Ge NC both at low frequencies (<50>cm(-1)) and at high frequency (similar to260 cm(-1)). The latter mode is a resonant mode which occurs in the "pseudogap" between the acoustic and optical phonon branches in bulk Ge. From the low frequency surface modes we have been able to reconstruct the spheroidal and torsional Lamb modes …
Calculations On The Size Effects Of Raman Intensities Of Silicon Quantum Dots, Wei Cheng, Shang-Fen Ren
Calculations On The Size Effects Of Raman Intensities Of Silicon Quantum Dots, Wei Cheng, Shang-Fen Ren
Faculty publications – Physics
Raman intensities of Si quantum dots (QD's) with up to 11489 atoms (about 7.6 nm in diameter) for different scattering configurations are calculated. First, phonon modes in these QD's, including all vibration frequencies and vibration amplitudes, are calculated directly from the lattice-dynamic matrix by using a microscopic valence force field model combined with the group theory. Then the Raman intensities of these quantum dots are calculated by using a bond-polarizability approximation. The size effects of the Raman intensity in these QD's are discussed in detail based on these calculations. The calculations are compared with the available experimental observations. We are …