Dear Riti, Thanks for the response. It was very helpful in better understanding my system.
Adi On Wed, Feb 10, 2016 at 1:00 PM, <ifeffit-requ...@millenia.cars.aps.anl.gov> wrote: > Send Ifeffit mailing list submissions to > ifeffit@millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-requ...@millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-ow...@millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Feature near edge of Ni XANES spectrum (Aditya Shivprasad) > 2. Re: Feature near edge of Ni XANES spectrum (Ritimukta Sarangi) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Tue, 9 Feb 2016 21:19:21 -0500 > From: Aditya Shivprasad <aps...@psu.edu> > To: ifeffit@millenia.cars.aps.anl.gov > Subject: [Ifeffit] Feature near edge of Ni XANES spectrum > Message-ID: > <CAFbAhodYDnzzK1keVptQVfhS4OJMR-VgB-vR= > wfl8tkvcfe...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Dear list, > > I have obtained nickel XANES spectra (attached) from metallic Zircaloy-2 > nuclear fuel cladding (Zr, 1.5% Sn, 0.15% Fe, 0.1% Cr, 0.05% Ni). > > In the spectrum, I identify the edge as being approximately 8331-8332 eV > (based on maximum of first derivative), as it is for pure Ni. However, I > also identify a sharp feature at less than 1 eV past the edge. If anyone on > the list could help me to understand the origin of this feature, that would > be very helpful. > > Thanks > -- > Aditya Shivprasad > > aps...@psu.edu > Ph.D Candidate > Nuclear Engineering Department > Pennsylvania State University > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20160209/6f6df418/attachment-0001.html > > > -------------- next part -------------- > A non-text attachment was scrubbed... > Name: Ni in Zircaloy-2.prj > Type: application/octet-stream > Size: 3095 bytes > Desc: not available > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20160209/6f6df418/attachment-0001.obj > > > > ------------------------------ > > Message: 2 > Date: Tue, 9 Feb 2016 20:27:15 -0800 > From: Ritimukta Sarangi <ritimu...@gmail.com> > To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] Feature near edge of Ni XANES spectrum > Message-ID: > <CAMWiF7ySdh-drozrtMm4R5JMjRRjLiMQ9Qfej--nvvk= > qwo...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Hello Aditya, > If I understand correctly, the nomenclature you are using is a little > misleading. The sharp feature that you are referring to is a rising-edge > feature and is not after the edge. The is a classic feature for square > planar complexes and Ni does form a lot of those. The origin of this > feature has been argued (in molecular systems) to be either: > > 1) Valence bond configuration interaction feature (VBCI), which is a > formally forbidden 2 -electron transfer process. It gains intensity with > covalent overlap of metal with ligands and has been shown (in the case of > Cu(III) which is isoelectronic to Ni(II)) to increase with metal-ligand > bond strength. > > 2) It has also been attributed to longer-range multiple scattering. > > It is important to realize that both effect increase in square planar > systems and usually such a feature is the hallmark of a square planar > molecule. > Best, > Riti > > On Tue, Feb 9, 2016 at 6:19 PM, Aditya Shivprasad <aps...@psu.edu> wrote: > > > Dear list, > > > > I have obtained nickel XANES spectra (attached) from metallic Zircaloy-2 > > nuclear fuel cladding (Zr, 1.5% Sn, 0.15% Fe, 0.1% Cr, 0.05% Ni). > > > > In the spectrum, I identify the edge as being approximately 8331-8332 eV > > (based on maximum of first derivative), as it is for pure Ni. However, I > > also identify a sharp feature at less than 1 eV past the edge. If anyone > on > > the list could help me to understand the origin of this feature, that > would > > be very helpful. > > > > Thanks > > -- > > Aditya Shivprasad > > > > aps...@psu.edu > > Ph.D Candidate > > Nuclear Engineering Department > > Pennsylvania State University > > > > _______________________________________________ > > Ifeffit mailing list > > Ifeffit@millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > > > > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: < > http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20160209/77eca21f/attachment-0001.html > > > > ------------------------------ > > Subject: Digest Footer > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > > ------------------------------ > > End of Ifeffit Digest, Vol 156, Issue 6 > *************************************** >
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