Author Topic: Fermi Energy Shifting  (Read 3399 times)

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Offline abhishek_sharmacct

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Fermi Energy Shifting
« on: January 11, 2011, 12:10 »
By  calculating band structure of ZnO using VNL, I got band structrue in which energy is distributed from negative to positive and 0 energy is in between them. Fermi energy is negative nearly -4.02.

Please tell me that in the result browser's output band structure figure, 0 energy corresponds to fermi energy or value at -4.02 is femi energy?

If it is at -4.02 than I must shift whole band structure by setting fermi energy 0.

Offline Anders Blom

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Re: Fermi Energy Shifting
« Reply #1 on: January 11, 2011, 12:43 »
Unless you changed any advanced options, the Fermi level is the zero energy in the band structure.

Offline zh

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Re: Fermi Energy Shifting
« Reply #2 on: January 12, 2011, 17:00 »
Since ZnO is a semiconductor,  the Fermi level of ZnO is usually and physically set as the valence band maximum.

Offline abhishek_sharmacct

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Re: Fermi Energy Shifting
« Reply #3 on: January 17, 2011, 06:12 »
Unless you changed any advanced options, the Fermi level is the zero energy in the band structure.


I am using ATK + VNL 2008.10 version. There is no such advanced option