Vibron–vibron coupling from ab initio molecular dynamics simulations of a silicon cluster
We study the temperature-dependent dynamical processes of a Si _10 H _16 cluster and obtain a blue shift of the Si–Si vibrational modes with transverse acoustic character and a red shift of the other vibrational modes with increasing temperature. We link this behavior to the bond length expansion an...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2013-01-01
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| Series: | New Journal of Physics |
| Online Access: | https://doi.org/10.1088/1367-2630/15/4/043039 |