Dear All,

While I was viewing the band structure of M2O5 (the ox. st. of M = +4) super-crystal doped with one gold atom, I obtained two-columns band structure of doped crystal and disappearance of wave-vectors as shown in the below figure. I guess this because of the replacement of the M+4 (four ox. st). by the Au+3 (three ox. st.) and the presence of odd electron. Am I right? Please answer in more detail.