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Screening ASb2O6 (A = Mg, Ca, Sr, Ba, or Cd) for High-Performance Transparent Conducting Oxides
Romain Claes1, Ke Li2, Fatima Sajid2
1School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, U.K.
Chemistry of Materials : a Publication of the American Chemical Society
|July 17, 2026
Summary
This study explores novel antimony-based oxides as transparent conducting oxides (TCOs) for optoelectronics. Yttrium-doped cadmium antimony oxide shows promise as a degenerate TCO, enhancing device performance.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Optoelectronics
Background:
- Transparent conducting oxides (TCOs) are crucial for optoelectronics but limited by reliance on n-type materials.
- Expanding TCO options enhances device design flexibility and performance through better energetic matching.
Purpose of the Study:
- To computationally screen ASb2O6 (A = Mg, Ca, Sr, Ba, Cd) for novel TCO candidates.
- To investigate the potential of Sb-(V)-based oxides for next-generation optoelectronic applications.
Main Methods:
- Computational screening of the ASb2O6 series using density functional theory.
- Experimental synthesis and characterization of Y-doped CdSb2O6 powders.
- Analysis of carrier concentration, optical band gap, and core level shifts via XPS.
Main Results:
- Ga-doped MgSb2O6 exhibits tunable carrier concentration (10^17 cm^-3).
- Y-doped CdSb2O6 is predicted as a degenerate TCO.
- Experimental results confirm n-type doping in Y-doped CdSb2O6, with Burstein-Moss band gap widening and Fermi-level rise.
Conclusions:
- Sb-(V)-based oxides, particularly Y-doped CdSb2O6, are promising new TCOs.
- The resonant nature of Y doping preserves high mobility, crucial for device applications.
- This research expands the TCO material palette for advanced optoelectronic devices.
