[Wien] RE:Question about anatase TiO2

Yushan Wang wys at UDel.Edu
Wed Feb 16 18:31:37 CET 2005


hi, can you decompose the DOS of Ti-3d to see if it matchs the split rule: 
t2g (dxy,dxz and dyz) and eg (dx^2-y^2, dz^2), with the energy of eg 
higher that that of t2g.

yushan




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