Solubility limits in quaternary SnTe-based alloys [Metastability and solubility limits in quaternary SnTe-based alloys guided by combinatorial sputtering]
Abstract
Here, the controlled decomposition of metastable alloys is an attractive route to form nanostructured thermoelectric materials with reduced thermal conductivity. The ternary SnTe–MnTe and SnTe–SnSe heterostructural alloys have been demonstrated as promising materials for thermoelectric applications. In this work, the quaternary Sn1–yMnyTe1–xSex phase space serves as a relevant model system to explore how a combination of computational and combinatorial-growth methods can be used to study equilibrium and non-equilibrium solubility limits. Results from first principle calculations indicate low equilibrium solubility for x,y < 0.05 that are in good agreement with results obtained from bulk equilibrium synthesis experiments and predict significantly higher spinodal limits. An experimental screening using sputtered combinatorial thin film sample libraries showed a remarkable increase in non-equilibrium solubility for x,y > 0.2. These theoretical and experimental results were used to guide the bulk synthesis of metastable alloys. The ability to reproduce the non-equilibrium solubility levels in bulk materials indicates that such theoretical calculations and combinatorial growth can inform bulk synthetic routes. Further, the large difference between equilibrium and non-equilibrium solubility limits in Sn1–yMnyTe1–xSex indicates these metastable alloys are attractive in terms of nano-precipitate formation for potential thermoelectric applications.
- Authors:
-
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- National Renewable Energy Lab. (NREL), Golden, CO (United States); Univ. of Colorado, Boulder, CO (United States)
- Colorado School of Mines, Golden, CO (United States)
- Publication Date:
- Research Org.:
- National Renewable Energy Laboratory (NREL), Golden, CO (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), NREL Laboratory Directed Research and Development (LDRD); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1360667
- Report Number(s):
- NREL/JA-5K00-68341
Journal ID: ISSN 2046-2069; RSCACL
- Grant/Contract Number:
- AC36-08GO28308
- Resource Type:
- Accepted Manuscript
- Journal Name:
- RSC Advances
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 40; Journal ID: ISSN 2046-2069
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 30 DIRECT ENERGY CONVERSION; thermoelectric materials; thermal conductivity; decomposition; alloys; SnTe; MnSe; MnTe; SnSe; non equilibrium; solubility; combinatorial sputtering; high throughput; computational phase diagram; quaternary alloys
Citation Formats
Siol, Sebastian, Holder, Aaron, Ortiz, Brenden R., Parilla, Philip A., Toberer, Eric, Lany, Stephan, and Zakutayev, Andriy. Solubility limits in quaternary SnTe-based alloys [Metastability and solubility limits in quaternary SnTe-based alloys guided by combinatorial sputtering]. United States: N. p., 2017.
Web. doi:10.1039/C6RA28219A.
Siol, Sebastian, Holder, Aaron, Ortiz, Brenden R., Parilla, Philip A., Toberer, Eric, Lany, Stephan, & Zakutayev, Andriy. Solubility limits in quaternary SnTe-based alloys [Metastability and solubility limits in quaternary SnTe-based alloys guided by combinatorial sputtering]. United States. https://doi.org/10.1039/C6RA28219A
Siol, Sebastian, Holder, Aaron, Ortiz, Brenden R., Parilla, Philip A., Toberer, Eric, Lany, Stephan, and Zakutayev, Andriy. Tue .
"Solubility limits in quaternary SnTe-based alloys [Metastability and solubility limits in quaternary SnTe-based alloys guided by combinatorial sputtering]". United States. https://doi.org/10.1039/C6RA28219A. https://www.osti.gov/servlets/purl/1360667.
@article{osti_1360667,
title = {Solubility limits in quaternary SnTe-based alloys [Metastability and solubility limits in quaternary SnTe-based alloys guided by combinatorial sputtering]},
author = {Siol, Sebastian and Holder, Aaron and Ortiz, Brenden R. and Parilla, Philip A. and Toberer, Eric and Lany, Stephan and Zakutayev, Andriy},
abstractNote = {Here, the controlled decomposition of metastable alloys is an attractive route to form nanostructured thermoelectric materials with reduced thermal conductivity. The ternary SnTe–MnTe and SnTe–SnSe heterostructural alloys have been demonstrated as promising materials for thermoelectric applications. In this work, the quaternary Sn1–yMnyTe1–xSex phase space serves as a relevant model system to explore how a combination of computational and combinatorial-growth methods can be used to study equilibrium and non-equilibrium solubility limits. Results from first principle calculations indicate low equilibrium solubility for x,y < 0.05 that are in good agreement with results obtained from bulk equilibrium synthesis experiments and predict significantly higher spinodal limits. An experimental screening using sputtered combinatorial thin film sample libraries showed a remarkable increase in non-equilibrium solubility for x,y > 0.2. These theoretical and experimental results were used to guide the bulk synthesis of metastable alloys. The ability to reproduce the non-equilibrium solubility levels in bulk materials indicates that such theoretical calculations and combinatorial growth can inform bulk synthetic routes. Further, the large difference between equilibrium and non-equilibrium solubility limits in Sn1–yMnyTe1–xSex indicates these metastable alloys are attractive in terms of nano-precipitate formation for potential thermoelectric applications.},
doi = {10.1039/C6RA28219A},
journal = {RSC Advances},
number = 40,
volume = 7,
place = {United States},
year = {Tue May 09 00:00:00 EDT 2017},
month = {Tue May 09 00:00:00 EDT 2017}
}
Web of Science
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