Atomic and electronic structure of Ti substitution in Ca3Co4O9

作者:Hu Xuan*; Phillips Patrick J; Mazumdar Dipanjan; Idrobo Juan Carlos; Kolesnik Stanislaw; Gupta Arunava; Ogut Serdar; Klie Robert F
来源:Journal of Applied Physics, 2016, 120(20): 205105.
DOI:10.1063/1.4966938

摘要

We examine the role of Ti doping in the incommensurately layered thermoelectric oxide material Ca3Co4O9 (CCO). The measured Seebeck coefficient of S = 135 mu V/K in Ti-doped CCO thin films of composition Ca3Co3.8Ti0.2O9 indicates no significant enhancement of S compared to pristine CCO, thus confirming prior experimental results. Using a combination of aberration-corrected scanning transmission electron microscopy, electron energy-loss spectroscopy and first-principles computations, we determine the atomic and electronic structures of Ti-doped CCO, including the preferred location of Ti dopants and valence states of Ti and Co atoms. Our findings on the structural, electronic, and transport properties of the Ti-doped CCO are discussed in light of the previously published results. Published by AIP Publishing.

  • 出版日期2016-11-28