The difference between IETS and the second derivative of A

[ml1019]

Dear All,

Can I know the difference between IETS and the second derivative of A?

Why are the intensity of the peaks in the attached two figures different?

Thank you for your help.

[Anders Blom]

See https://docs.quantumatk.com/tutorials/inelastic_electron_spectrometry_au_h2_au/inelastic_electron_spectrometry_au_h2_au.html#introduction for the difference between the two in terms of how the GUI analyzer shows it. That is, IETS=(d2I/d2V) / (dI/dV).

The two versions where you divide with dI/dV or not do however seem to vary a bit in the literature and the term IETS can be used for both.

The method inelasticElectronTunnelingSpectroscopy() returns d2I/d2V as the manual states https://docs.quantumatk.com/manual/Types/InelasticTransmissionSpectrum/InelasticTransmissionSpectrum.html.

[ml1019]

See https://docs.quantumatk.com/tutorials/inelastic_electron_spectrometry_au_h2_au/inelastic_electron_spectrometry_au_h2_au.html#introduction for the difference between the two in terms of how the GUI analyzer shows it. That is, IETS=(d2I/d2V) / (dI/dV).

The two versions where you divide with dI/dV or not do however seem to vary a bit in the literature and the term IETS can be used for both.

The method inelasticElectronTunnelingSpectroscopy() returns d2I/d2V as the manual states https://docs.quantumatk.com/manual/Types/InelasticTransmissionSpectrum/InelasticTransmissionSpectrum.html.

Dear Anders,

Thank you for your explanation.

Best regards,
ml1019