Infrared spectra at surfaces and interfaces from first principles: evolution of the spectra across the Si(100)-SiO2 interface.
We introduce a general scheme for calculating from first principles both the transverse-optical and longitudinal-optical infrared absorption spectra at surfaces or interfaces. A spatial decomposition of the spectra gives the evolution of the infrared activity across the considered system. Applicatio...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2005
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