Strong optical transitions via surface states on Si(001)2×1:H ultrathin films: A theoretical study

Nishida, Masahiko
July 2001
Applied Physics Letters;7/30/2001, Vol. 79 Issue 5
Academic Journal
Optical transitions via localized surface states on Si(001) ultrathin films terminated by monohydride dimers on both surfaces with 2×1 periodicity are studied by use of the extended Hu¨ckel-type nonorthogonal tight-binding method. The calculated oscillator strength between the bottom of the empty surface states and the valence-band maximum is much larger than that for direct band-to-band transitions in films with an ideal dihydride termination on both surfaces. An analysis shows that this strong optical coupling is attributed to a significant s-like character introduced into the surface-state bottom by the formation of the monohydride dimers on the film surface. © 2001 American Institute of Physics.


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