Abstract
We report on design of optoelectronic properties in previously unreported metastable tin titanium nitride alloys with spinel crystal structure. Theoretical calculations predict that Ti alloying in metastable Sn3N4 compound should improve hole effective mass by up to 1 order of magnitude, while other optical bandgaps remains in the 1-2 eV range up to x ∼ 0.35 Ti composition. Experimental synthesis of these metastable alloys is predicted to be challenging due to high required nitrogen chemical potential (ΔμN ≥ +1.0 eV) but proven to be possible using combinatorial cosputtering from metal targets in the presence of nitrogen plasma. Characterization experiments confirm that thin films of such (Sn1-xTix)3N4 alloys can be synthesized up to x = 0.45 composition, with suitable optical band gaps (1.5-2.0 eV), moderate electron densities (1017 to 1018 cm-3), and improved photogenerated hole transport (by 5×). Overall, this study shows that it is possible to design the metastable nitride materials with properties suitable for potential use in solar energy conversion applications.
| Original language | English |
|---|---|
| Pages (from-to) | 6511-6517 |
| Number of pages | 7 |
| Journal | Chemistry of Materials |
| Volume | 29 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - Aug 8 2017 |
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ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
- Materials Chemistry
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Design of Metastable Tin Titanium Nitride Semiconductor Alloys. / Bikowski, Andre; Siol, Sebastian; Gu, Jing; Holder, Aaron; Mangum, John S.; Gorman, Brian; Tumas, William; Lany, Stephan; Zakutayev, Andriy.
In: Chemistry of Materials, Vol. 29, No. 15, 08.08.2017, p. 6511-6517.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Design of Metastable Tin Titanium Nitride Semiconductor Alloys
AU - Bikowski, Andre
AU - Siol, Sebastian
AU - Gu, Jing
AU - Holder, Aaron
AU - Mangum, John S.
AU - Gorman, Brian
AU - Tumas, William
AU - Lany, Stephan
AU - Zakutayev, Andriy
PY - 2017/8/8
Y1 - 2017/8/8
N2 - We report on design of optoelectronic properties in previously unreported metastable tin titanium nitride alloys with spinel crystal structure. Theoretical calculations predict that Ti alloying in metastable Sn3N4 compound should improve hole effective mass by up to 1 order of magnitude, while other optical bandgaps remains in the 1-2 eV range up to x ∼ 0.35 Ti composition. Experimental synthesis of these metastable alloys is predicted to be challenging due to high required nitrogen chemical potential (ΔμN ≥ +1.0 eV) but proven to be possible using combinatorial cosputtering from metal targets in the presence of nitrogen plasma. Characterization experiments confirm that thin films of such (Sn1-xTix)3N4 alloys can be synthesized up to x = 0.45 composition, with suitable optical band gaps (1.5-2.0 eV), moderate electron densities (1017 to 1018 cm-3), and improved photogenerated hole transport (by 5×). Overall, this study shows that it is possible to design the metastable nitride materials with properties suitable for potential use in solar energy conversion applications.
AB - We report on design of optoelectronic properties in previously unreported metastable tin titanium nitride alloys with spinel crystal structure. Theoretical calculations predict that Ti alloying in metastable Sn3N4 compound should improve hole effective mass by up to 1 order of magnitude, while other optical bandgaps remains in the 1-2 eV range up to x ∼ 0.35 Ti composition. Experimental synthesis of these metastable alloys is predicted to be challenging due to high required nitrogen chemical potential (ΔμN ≥ +1.0 eV) but proven to be possible using combinatorial cosputtering from metal targets in the presence of nitrogen plasma. Characterization experiments confirm that thin films of such (Sn1-xTix)3N4 alloys can be synthesized up to x = 0.45 composition, with suitable optical band gaps (1.5-2.0 eV), moderate electron densities (1017 to 1018 cm-3), and improved photogenerated hole transport (by 5×). Overall, this study shows that it is possible to design the metastable nitride materials with properties suitable for potential use in solar energy conversion applications.
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U2 - 10.1021/acs.chemmater.7b02122
DO - 10.1021/acs.chemmater.7b02122
M3 - Article
VL - 29
SP - 6511
EP - 6517
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 15
ER -