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March 2014

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12 discussions

Re: [Ifeffit] Ifeffit Digest, Vol 133, Issue 1
by Abhijeet Gaur 13 Mar '14

13 Mar '14

Hi Matt, Thanks for your suggestion. I will use this for the analysis of my sample. I have a query that what if I change the Mn by Zn at the Atoms page calculation so that the feff.inp file has already Zn instead of Mn. Is there any difference between the two methods. With thanks Abhijeet On Wed, Mar 12, 2014 at 10:30 PM, <ifeffit-request(a)millenia.cars.aps.anl.gov > wrote: > Send Ifeffit mailing list submissions to > ifeffit(a)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-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)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. Analysis of EXAFS data of a Zn sample with the theoretical > model of a similar Mn sample (Abhijeet Gaur) > 2. Re: Analysis of EXAFS data of a Zn sample with the > theoretical model of a similar Mn sample (Matt Newville) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 12 Mar 2014 19:22:42 +0530 > From: Abhijeet Gaur <abhijeetgaur9(a)gmail.com> > To: ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: [Ifeffit] Analysis of EXAFS data of a Zn sample with the > theoretical model of a similar Mn sample > Message-ID: > <CAEq27Q1tZfmsb+-3HK2= > gWhK3ZGdXbSue79wpRT7wedG_nAjLQ(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi all, > I am trying to analyse the EXAFS data of Zn sample whose > structure is not available. > The crystallographic data is available for a Mn sample which is > likely to have same coordination environment as Zn sample . > Is it possible to use the theoretical model generated for Mn > sample for the EXAFS analysis of the Zn sample? > How much error is expected in the structural parameters > obtained from such fittings? > > With thanks in advance > > -- > Dr. Abhijeet Gaur >

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Analysis of EXAFS data of a Zn sample with the theoretical model of a similar Mn sample
by Abhijeet Gaur 12 Mar '14

12 Mar '14

Hi all, I am trying to analyse the EXAFS data of Zn sample whose structure is not available. The crystallographic data is available for a Mn sample which is likely to have same coordination environment as Zn sample . Is it possible to use the theoretical model generated for Mn sample for the EXAFS analysis of the Zn sample? How much error is expected in the structural parameters obtained from such fittings? With thanks in advance -- Dr. Abhijeet Gaur

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