[Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread HOON Kim
Hello, I am a bit confused about the amplitude reduction factor (S0^2), in a sense that whether this factor must be determined by fitting or constrained by a reference value for a specific element. I'm dealing with a cathode composite (for lithium-ion battery) comprised of two crystal

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread Scott Calvin
Hi Hoon, Using a reference value is not always a good idea, because experimental effects can play a role. BUT, S02 should not change during charge-discharge on a single sample, or a series of samples prepared and measured similarly. Instead, it's likely something correlated with S02 in the

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread HOON Kim
Dear Scott, Thank you for your advice. Q) I assume that your second solution allow different S02 values for each spectrum? I'd like to be more specific about my obtained results, At reference state (that means without any applied current), the amplitude reduction factor was 0.77At 20% charge,

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread Scott Calvin
On Sep 18, 2014, at 8:20 AM, HOON Kim scie...@live.co.krmailto:scie...@live.co.kr wrote: Dear Scott, Thank you for your advice. Q) I assume that your second solution allow different S02 values for each spectrum? No. My second solution is to fit one of them, say the reference at 0.77, and

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread Bruce Ravel
On 09/18/2014 07:23 AM, Scott Calvin wrote: Hi Hoon, Using a reference value is not always a good idea, because experimental effects can play a role. I want to elaborate a bit on this point in Scott's post, particularly given the nature of your sample. The materials in a battery, as they

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread Scott Calvin
By the way, you should also look closely at how well the edge jump is being determined by Athena (or whatever software you use for the data reduction). If there's a white line or pre-edge feature that's changing, it's possible the default behavior of Athena is not determining the edge jump in a

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread Bruce Ravel
On 09/18/2014 08:20 AM, HOON Kim wrote: I'd like to be more specific about my obtained results, At reference state (that means without any applied current), the amplitude reduction factor was 0.77 At 20% charge, it was 0.67 40% charge = 0.66 60% charge = 0.63 80% charge = 0.68 full charge =

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread HOON Kim
Dear Scott, Thank you for your advice. As a transmission XAS experiment, I don't think there was a white line. But, the pre-edge feature (in XANES) tends to change according to the charge state of the battery. (I believe this is a general observation in terms of the cathode material) Kind

Re: [Ifeffit] Inconsistency of the amplitude reduction factor

2014-09-18 Thread HOON Kim
Dear Bruce, Good point ! I will keep it in mind. (error bars were like +/- 0.05677..) Kind Regards,HOON Date: Thu, 18 Sep 2014 09:11:03 -0400 From: bra...@bnl.gov To: ifeffit@millenia.cars.aps.anl.gov Subject: Re: [Ifeffit] Inconsistency of the amplitude reduction factor On 09/18/2014 08:20