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[sdpd] problem about PDF(atom pair distribution function)?
- To: sdpd...@yahoogroups.com
- Subject: [sdpd] problem about PDF(atom pair distribution function)?
- From: 徐君 <xujun16...@163.com>
- Date: Fri, 4 Jun 2010 10:53:38 +0800 (CST)
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<p>Dear Colleagues,<br>
Recently, I am learning the PDF(called ab-intio determination of solid-state nanostructure [nature letters 2006 ] & The problem with Determining Atomic structure at the nanoscale [SCIENCE 2007]). A lots of paper about this tech. have been published, like ZrO2 LiMoS2 V2O5 GaN nanomaterials. <br>
Problem: 1. if we do not have the initio structure model of the nanomaterial, can the PDF still work well?<br>
2.if we have the intio structure model, (these paper present the comparison between Rietveld and PDF, which show a nice agreement), we can use the Rietveld method only, why choosing PDF?<br>
Best Regards,<br>
xujun<br>
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