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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
Researchers screened antimony-based oxides for transparent conducting oxides (TCOs). Y-doped CdSb2O6 shows promise as a degenerate TCO for advanced optoelectronics.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Optoelectronics
Background:
- Transparent conducting oxides (TCOs) are crucial for optoelectronics.
- Current TCOs are limited, restricting device design and performance.
- Expanding TCO options enhances energetic matching and device efficiency.
Purpose of the Study:
- To computationally screen ASb2O6 oxides for novel TCO candidates.
- To explore Sb-(V)-based oxides as a new class of TCOs.
- To identify materials with tunable electron affinities for optoelectronic applications.
Main Methods:
- Computational screening of the ASb2O6 series (A = Mg, Ca, Sr, Ba, Cd).
- Density Functional Theory (DFT) calculations for electronic properties.
- Experimental synthesis and characterization of Y-doped CdSb2O6 powders.
Main Results:
- Ga-doped MgSb2O6 exhibits tunable carrier concentration up to 10^17 cm^-3.
- Y-doped CdSb2O6 is predicted as a degenerate TCO.
- Experimental data confirms n-type doping in Y-doped CdSb2O6 via band gap widening and XPS shifts.
Conclusions:
- Sb-(V)-based oxides are promising new TCO materials.
- Y-doped CdSb2O6 demonstrates high potential for next-generation optoelectronic devices.
- The resonant nature of Y doping preserves high carrier mobility.
