Affiliation:
1. Universiti Malaysia Perlis (UniMAP)
2. University Malaysia Perlis
3. Universiti Malaysia Perlis
Abstract
Thermoelectric properties of SrTiO3doped with 8%Pm at Sr site were investigated using density functional theory and generalized gradient approximation. The transport properties were calculated based on BoltzTraP code at temperature range 300-1200K. In electronic properties study Fermi level were shifted to conduction band region due to high contribution 4f orbital in Pm. Present study thermoelectric figure of merit ZT result was 0.395 at 300K and 0.638 at 1200K. This shows a considerably good value of ZT for SrTiO3as n-type oxide. Compared to previous work, ZT were at the range of 0.21 - 0.37 for temperature of 300-1000K in Pr, La, Ta and Ho.
Publisher
Trans Tech Publications, Ltd.
Subject
Condensed Matter Physics,General Materials Science,Atomic and Molecular Physics, and Optics
Reference35 articles.
1. M. Zebarjadi, et al., Energy & Environmental Science, Vol. 5(1), (2012), pp.5147-5162.
2. D. Zou, et al., Chemical Physics Letters, Vol. 586 (2013), pp.159-163.
3. K.Kaur,R. Kumar, Progress in Natural Science: Materials International, Vol. 26(6), (2016), pp.533-539.
4. G. Yang, et al. J. of Alloys and Compounds, Vol. 678 (2016), pp.12-17.
5. C. Gayner, K.K. Kar, Progress in Materials Science, Vol. 83 (2016), pp.330-382.
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