Dear Pei-chang Tsai, Using dopants in atoms is something which comes up often. It is a FAQ on the Ieffit wiki. http://cars9.uchicago.edu/ifeffit/FAQ/FeffitModeling and a there is a nice page about doped crystals and alloys http://cars9.uchicago.edu/ifeffit/Doped?highlight=%28CategoryNotBulkCrystals... There is also a previous discussion on this mailing list. Bruce gave a good summary here. http://cars9.uchicago.edu/pipermail/ifeffit/2002-July/000092.html The wiki pages http://cars9.uchicago.edu/ifeffit/Ifeffit have answers to many common questions and even a few uncommon ones. It is often the first place I go when I start a new problem. :-) I hope this helps and good luck with your structure. Adam Webb 沛昌 蔡 wrote:
Dear Prof: We have some questions about build lower doping concentration structure in TKAtoms program, as following; Q1: The TKATOM program can build up doping structure for lower doping concentration (below 10%) or not? Q2: If it can work, how should we build up the doping site? Q3: For lower doping case, how do these doped atoms choose where to go in TKATOM program, is it have physical description?
ps: The attach ppt. file show more detail about our questions.
Thanks for helping! Pei-chang Tsai
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-- ---------------------------------------------------------- Dr. M. Adam Webb HASYLAB at DESY Notkestrasse 85 D-22607 Hamburg Germany Phone: +49 40 8998-1994, Fax: +49 40 8998-2787 E-mail: adam.webb@desy.de -----------------------------------------------------------