Dear Harry,
To a good approximation, using a decreased lifetime broadening works for
simulating HERFD-XANES. See https://doi.org/10.1021/jp063416t where
conventional and HERFD XANES are calculated with FEFF by decreasing the
broadening (Fig. 2). This is done in the EXCHANGE card, e.g. to decrease
Hi Will,
I worked with the Fe K-pre-edge, following the method of Wilke et al. (e.g.
ref 20 in the Chaurand paper). Letting the peaks fit freely (but with
shared FWHM and Gaussian/Lorentzian ratio) gave the best results. A few
reasons to rely on the fitting program to give you the numbers:
-
e e.g. K-weight corrected,
> background adjusted, aligned and calibrated data?
> Sorry for the inconvenience and thank you very much in advance for the
> details.
> Sincerely yours
> Pushkar
>
> On Thu, Feb 23, 2017 at 6:18 PM, Alexey Boubnov <alexeyboub...@gmail.com>
icated but just the syntax of writing chemical formula is different
> and con-conventional.
>
> Sincerely yours
> Pushkar
>
> On Wed, Feb 22, 2017 at 9:52 PM, Alexey Boubnov <alexeyboub...@gmail.com>
> wrote:
>
>> Dear Pushkar,
>>
>> regarding your
Dear Pushkar,
regarding your last question: the absorption edge jump (Delta µd) is the
difference in absorption before the edge and after the edge, e.g. Pt
L3-edge is at 11564 eV, so Delta(µd) = µd at 11580 eV - µd at 11550 eV. The
total absorption (µd) takes all atoms into account. You only need
Dear Pushkar,
in the X-ray data booklet (online version http://xdb.lbl.gov/xdb.pdf), see
"Section 1.6 MASS ABSORPTION COEFFICIENTS" for the explanation and a
reference to absorption coefficient tables in literature.
I personally like the empirical way, i.e. comparison to well-known standard
Dear Gemma,
you indeed want a feff-input with a central Co on/in a kaolinite matrix.
You should define the location of the Co ion - the simplest assumptions
would be substitution of an Al or Si.
Import the cif and run ATOMS to create the kaolinite structure. Then
replace either Al or Si with Co
Dear Pushkar,
1) The priority is the mass, i.e. the number of absorbing atoms of the
measured element, because that determines the edge jump. The thickness
mostly depends on the type of sample and amount of BN (or cellulose) used
and is usually important for the stability and homogeneity of the
Dear Matteo,
µx that you measured is dimensionless: x in the thickness (in cm) and µ the
Absorption coeffiecient (per cm). Indeed, if you want to know the
Absorption coefficient µ of your sample, you should divide µx by x.
All the best,
Alexey
2016-05-13 2:11 GMT+02:00 Matteo Busi
