<div>Dear All,</div>
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<div> I want to determin the transition enery of a defect level. It is important to align the valence bands maximum of different systems under investigation. Many works has claimed valence bands maximum alignments were performed but no technique details are given.
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<div>For my understanding, </div>
<div>I thougt the valence bands maxium of charge defect systems could be determined by aligning its average potential </div>
<div>to pure perfect system's potential, e.g \epsilon_{VBM}.(Defects,q) = \epsilon_{VBM}(0) + [<V(D,q)> -<V(0)>]. But some person told me such expression has omitted something. So it really confused me much. As far as i know, the potential of system could be only determined to some constant . i thought the alignment of average potentials of two systems could take into account this arbitrariness.. I am not very certain about this VBM alignment right now Would you give me some comments and clarify my understanding ?
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<div>I appreciate any suggestions and comments .</div>
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<div>Cheers ,</div>
<div>Hai-Ping</div>
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<div> <br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871 </div>