[Ifeffit] Ifeffit Digest, Vol 183, Issue 9

Abdul Ahad matrixabdulahad at gmail.com
Wed May 9 10:28:01 CDT 2018


yes i m talking about the jahn teller type distortion, any hint to include
in atom



*A. Ahad*
*--------------------*
*Abdul Ahad*
Junior Research Fellow
*Dept of Physics*
*Aligarh Muslim University*
*Aligarh 202002 (U.P.), India*

*http://www.researcherid.com/rid/G-8198-2018
<http://www.researcherid.com/rid/G-8198-2018>*
*Email: a_ahad.rs at amu.ac.in <a_ahad.rs at amu.ac.in>, ahad at mailaps.org
<ahad at mailaps.org> *

On Wed, May 9, 2018 at 8:30 PM, <ifeffit-request at millenia.cars.aps.anl.gov>
wrote:

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> Today's Topics:
>
>    1. Re: Energy Resolution (Julian Ehwald)
>    2. Re: Energy Resolution (Robert Meulenberg)
>    3. 4+2 model for distortion (Abdul Ahad)
>    4. Re: 4+2 model for distortion (Anatoly Frenkel)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Wed, 9 May 2018 09:24:27 +0200
> From: "Julian Ehwald" <jehwald at gmail.com>
> To: "'Carlo Segre'" <segre at iit.edu>, "'XAFS Analysis using Ifeffit'"
>         <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Energy Resolution
> Message-ID: <006901d3e766$c4284410$4c78cc30$@gmail.com>
> Content-Type: text/plain;       charset="iso-8859-1"
>
> Hi Carlo
>
> Thank you very much for your answer! If you say it is sufficient to use
> dk=0.05, that means I would be able to collect a full EXAFS spectra (k=0 to
> 12) in only 250 datapoints? That would save us a lot of time!
>
> Best, Julian
>
> -----Urspr?ngliche Nachricht-----
> Von: Ifeffit [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] Im Auftrag
> von Carlo Segre
> Gesendet: Sonntag, 6. Mai 2018 01:07
> An: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Betreff: Re: [Ifeffit] Energy Resolution
>
>
> Hi Julian:
>
> With an edge energy of 543 eV, your monochromator resolution should be at
> least 0.1 eV.  If you are interested in XANES, you need to take data at
> this
> resolution or maybe even better.  ONce past the edge, there is no need to
> keep that step size.  If your beamline permits an EXAFS-type step scan with
> steps in k-space, you want to use a dk of 0.05 which is what IFEFFIT
> interpolates to.  Smaller step sizes are not really useful.
>
> Carlo
>
> On Sat, 5 May 2018, Julian Ehwald wrote:
>
> > Dear all,
> >
> >
> >
> > This might be a very general question, but: I was wondering what
> > energy resolution you typically use at beamlines to obtain your raw data
> for exafs.
> > Since we have limited Beamtime only and other experiments that we want
> > to carry out, I was wondering what kind of resolution is common. Or
> > differently: Is it predictable what happens if I for example change
> > from steps of 0.2eV to 0.4eV? We want to obtain spectra up to 500eV
> > above Oxygen K, if that is of relevance.
> >
> > Best, Julian
> >
> >
>
> --
> Carlo U. Segre -- Duchossois Leadership Professor of Physics Interim Chair,
> Department of Chemistry Director, Center for Synchrotron Radiation Research
> and Instrumentation Illinois Institute of Technology
> Voice: 312.567.3498            Fax: 312.567.3494
> segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
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>
>
>
> ------------------------------
>
> Message: 2
> Date: Wed, 9 May 2018 08:54:31 -0400
> From: Robert Meulenberg <robert.meulenberg at maine.edu>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Energy Resolution
> Message-ID:
>         <CANs+nr9N7MSiYB9UGRm-a0JGd-5U8BNjKO7YVgAkM=SoRKazHA at mail.
> gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Julian,
>
> Keep in mind that to get to k=12, you will need to go out to ~1100 eV.  At
> these energies, you will encounter just about every 1st row transition
> metal L edge, and a handful of other M-edges for heavier elements.  So if
> you have anything else in your sample, EXAFS will probably not be
> possible.  That is usually why people don't try to do EXAFS analysis at the
> soft x-ray energies.
>
> Regards,
>
> Rob
>
>
>
>
> Robert W. Meulenberg
> Associate Professor of Physics
> Laboratory for Surface Science and Technology
> Department of Physics and Astronomy
> University of Maine
> Orono, ME 04469
> phone: 207-581-2245
> email: robert.meulenberg at maine.edu
>
> On Wed, May 9, 2018 at 3:24 AM, Julian Ehwald <jehwald at gmail.com> wrote:
>
> > Hi Carlo
> >
> > Thank you very much for your answer! If you say it is sufficient to use
> > dk=0.05, that means I would be able to collect a full EXAFS spectra (k=0
> to
> > 12) in only 250 datapoints? That would save us a lot of time!
> >
> > Best, Julian
> >
> > -----Urspr?ngliche Nachricht-----
> > Von: Ifeffit [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] Im
> Auftrag
> > von Carlo Segre
> > Gesendet: Sonntag, 6. Mai 2018 01:07
> > An: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> > Betreff: Re: [Ifeffit] Energy Resolution
> >
> >
> > Hi Julian:
> >
> > With an edge energy of 543 eV, your monochromator resolution should be at
> > least 0.1 eV.  If you are interested in XANES, you need to take data at
> > this
> > resolution or maybe even better.  ONce past the edge, there is no need to
> > keep that step size.  If your beamline permits an EXAFS-type step scan
> with
> > steps in k-space, you want to use a dk of 0.05 which is what IFEFFIT
> > interpolates to.  Smaller step sizes are not really useful.
> >
> > Carlo
> >
> > On Sat, 5 May 2018, Julian Ehwald wrote:
> >
> > > Dear all,
> > >
> > >
> > >
> > > This might be a very general question, but: I was wondering what
> > > energy resolution you typically use at beamlines to obtain your raw
> data
> > for exafs.
> > > Since we have limited Beamtime only and other experiments that we want
> > > to carry out, I was wondering what kind of resolution is common. Or
> > > differently: Is it predictable what happens if I for example change
> > > from steps of 0.2eV to 0.4eV? We want to obtain spectra up to 500eV
> > > above Oxygen K, if that is of relevance.
> > >
> > > Best, Julian
> > >
> > >
> >
> > --
> > Carlo U. Segre -- Duchossois Leadership Professor of Physics Interim
> Chair,
> > Department of Chemistry Director, Center for Synchrotron Radiation
> Research
> > and Instrumentation Illinois Institute of Technology
> > Voice: 312.567.3498            Fax: 312.567.3494
> > segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
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> >
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> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
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> ------------------------------
>
> Message: 3
> Date: Wed, 9 May 2018 20:11:24 +0530
> From: Abdul Ahad <matrixabdulahad at gmail.com>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] 4+2 model for distortion
> Message-ID:
>         <CAEFSGt6rZiDGp+sxbGQY_BgB8Oawu5_jzAyyAUkuZqn-HH74pQ@
> mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> hi all
> How to include this model in atom that is 4+2 or 2+4 for 2short or 4 long
> bond length of octahedra
> thanks
>
>
> *A. Ahad*
> *--------------------*
> *Abdul Ahad*
> Junior Research Fellow
> *Dept of Physics*
> *Aligarh Muslim University*
> *Aligarh 202002 (U.P.), India*
>
> *http://www.researcherid.com/rid/G-8198-2018
> <http://www.researcherid.com/rid/G-8198-2018>*
> *Email: a_ahad.rs at amu.ac.in <a_ahad.rs at amu.ac.in>, ahad at mailaps.org
> <ahad at mailaps.org> *
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> ------------------------------
>
> Message: 4
> Date: Wed, 9 May 2018 11:00:08 -0400
> From: Anatoly Frenkel <anatoly.frenkel at stonybrook.edu>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] 4+2 model for distortion
> Message-ID:
>         <CAFsMoZam=Pu2hPKiF+oMU6uh5EbZc4ZY9VT=xADtEdoyyN=5
> pw at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Cute animation. I will now think of dynamic Jan Teller distortion every
> time I see a flying pigeon.
> Anatoly
>
>
>
> On Wed, May 9, 2018 at 10:41 AM, Abdul Ahad <matrixabdulahad at gmail.com>
> wrote:
>
> > hi all
> > How to include this model in atom that is 4+2 or 2+4 for 2short or 4 long
> > bond length of octahedra
> > thanks
> >
> >
> > *A. Ahad*
> > *--------------------*
> > *Abdul Ahad*
> > Junior Research Fellow
> > *Dept of Physics*
> > *Aligarh Muslim University*
> > *Aligarh 202002 (U.P.), India*
> >
> > *http://www.researcherid.com/rid/G-8198-2018
> > <http://www.researcherid.com/rid/G-8198-2018>*
> > *Email: a_ahad.rs at amu.ac.in <a_ahad.rs at amu.ac.in>, ahad at mailaps.org
> > <ahad at mailaps.org> *
> >
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
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> >
> >
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> End of Ifeffit Digest, Vol 183, Issue 9
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