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QuantumATK => General Questions and Answers => Topic started by: ml1019 on November 7, 2023, 19:06

Title: The difference between IETS and the second derivative of A
Post by: ml1019 on November 7, 2023, 19:06

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.

Title: Re: The difference between IETS and the second derivative of A
Post by: Anders Blom on November 7, 2023, 19:11

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.

Title: Re: The difference between IETS and the second derivative of A
Post by: ml1019 on November 14, 2023, 00:58

Quote from: Anders Blom on November  7, 2023, 19:11

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