[Wien] excitation between the valence and the conduction band

Yushan Wang wys at UDel.Edu
Mon Aug 16 21:45:06 CEST 2004


Dear users,
some papers such as [PRB 61,No.11, P7459] show that the excitation of TiO2
is from O 2p ( at the top of the valenve band) to the Ti-3dxy ( at the
bottom of the conduction band). do you think so? My opinion is that the
excitation should happen from the filled O 2p at the top of the valence
band to the empty O 2p at the bottom of the conduction band, and the
filled Ti 3d at the top of the valence band to the empty Ti3d at the
bottom of the conduction band, respectively. your remark woild be highly
appeciated.

yushan




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