[Pw_forum] figure of merit ZT

ade wale adewaleakeem12 at gmail.com
Tue May 9 09:42:14 CEST 2017


Dear all,
There is inconsistence in my ZT value for SrTiO3, when its pure 60atoms
(0.61 @ 800K with k-mesh of 1200, 0.57 @800k with k-mesh of 12) which is
very high compare to Pr doping 8% according to literature(0.21, 0.23 @
 800K,670K respectively) all without using occupation, even with occupation
  its too high(0.95 @800K with k-mesh of 12).

   But, my own Pr doping 8%(0.22, 0.24, 0.38 @ 750K, 800K,1150K
respectively,
    with k-mesh of 45) with occupation.
    Please what can I
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