Open AccessAtomic and electronic structure of Ti substitution in Ca3Co4O9
Author(s) -
Xuan Hu,
Patrick J. Phillips,
Dipanjan Mazumdar,
Juan Carlos Idrobo,
S. Koleśnik,
Arunava Gupta,
Serdar Öğüt,
Robert F. Klie
Publication year - 2016
Publication title -
journal of applied physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.699
H-Index - 319
eISSN - 1089-7550
pISSN - 0021-8979
DOI - 10.1063/1.4966938
Subject(s) - seebeck coefficient , materials science , thermoelectric effect , doping , dopant , electronic structure , scanning transmission electron microscopy , electron energy loss spectroscopy , transmission electron microscopy , valence (chemistry) , valence electron , condensed matter physics , electron , optoelectronics , chemistry , nanotechnology , computational chemistry , thermal conductivity , thermodynamics , physics , organic chemistry , composite material , quantum mechanics
We examine the role of Ti doping in the incommensurately layered thermoelectric oxide material Ca3Co4O9 (CCO). The measured Seebeck coefficient of S = 135 μV/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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom