Solubility limits in quaternary SnTe-based alloys

Siol, Sebastian; Holder, Aaron M.; Ortiz, Brenden R.; Toberer, Eric S.; Lany, Stephan; Zakutayev, Andriy

doi:10.1039/c6ra28219a

Cited by 15 publications

(14 citation statements)

References 42 publications

(32 reference statements)

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“…Due to the extremely low κ, solid solution, such as SnS-SnSe [129], PbSe-SnSe [284] and SnTe-SnSe [304] system, shows a potential way to optimize thermoelectric performance [129]. SnS shows analogous band structure and electrical properties with SnSe, making SnSe to be a good candidate to form solid solution such as SnS-SnSe system.…”

Section: Solid Solution and Co-synthesismentioning

confidence: 99%

High-performance SnSe thermoelectric materials: Progress and future challenge

Chen

Zhao

Zou

2018

Progress in Materials Science

491

410

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Thermoelectric materials offer an alternative opportunity to tackle the energy crisis and environmental problems by enabling the direct solid-state energy conversion. As a promising candidate with full potentials for the next generation thermoelectrics, tin selenide (SnSe) and its associated thermoelectric materials have been attracted extensive attentions due to their ultralow thermal conductivity and high electrical transport performance (power factor). To provide a thorough overview of recent advances in SnSe-based thermoelectric materials that have been revealed as promising thermoelectric materials since 2014, here, we first focus on the inherent relationship between the structural characteristics and the supreme thermoelectric performance of SnSe, including the thermodynamics, crystal structures, and electronic structures. The effects of phonon scattering, pressure or strain, and oxidation behavior on the thermoelectric performance of SnSe are discussed in detail. Besides, we summarize the current theoretical calculations to predict and understand the thermoelectric performance of SnSe, and provide a comprehensive summary on the current synthesis, characterization, and thermoelectric performance of both SnSe crystals and polycrystals, and their associated materials. In the end, we point out the controversies, challenges and strategies toward future enhancements of the SnSe thermoelectric materials.

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Section: Solid Solution and Co-synthesismentioning

confidence: 99%

High-performance SnSe thermoelectric materials: Progress and future challenge

Chen

Zhao

Zou

2018

Progress in Materials Science

491

410

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“…High-throughput experimentation (HTE) in combination with ab initio computation represents a robust tool set for screening and understanding materials systems and has found success in many fields, including transparent contacts for solar-cell applications [43] as well as interface analysis [44] and thermoelectrics [45]. These methods are uniquely capable of quickly screening compositional and/or process spaces as guides to materials selection, development, understanding, and process optimization [46].…”

Section: Methodsmentioning

confidence: 99%

Implications of heterostructural alloying for enhanced piezoelectric performance of (Al,Sc)N

Talley

Millican

Mangum

et al. 2018

Phys. Rev. Materials

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An understanding of the heterostructural implications on alloying in the aluminum nitride-scandium nitride system (Al 1−x Sc x N) can highlight opportunities and design principles for enhancing desired material properties by leveraging nonequilibrium states. The fundamental thermodynamics, and therefore composition-and structuredependent mechanisms, underlying property evolution in this system have not been fully described, despite significant recent efforts driven by interest in enhanced piezoelectric performance. Practical realization of these enhanced properties, however, is hindered by the strong driving thermodynamic driving force for phase separation in the system, highlighting the need for increased study into the role of heterostructural alloying on the thermodynamics and composition-structure-property relationships in this system. With this need in mind, ab initio computed alloy thermodynamics and properties are compared to combinatorial thin-film synthesis and characterization to develop a more complete picture of the structure and property evolution across the Al 1−x Sc x N composition space. The combination of structural frustration and a flattened free-energy landscape lead to substantial increases in electromechanical response. The energy scale of alloy metastability is found to be much larger than previously reported, helping to explain difficulties in achieving homogeneous materials with high scandium concentration. Scandium substitution for aluminum softens the wurtzite crystal lattice, and energetic proximity to the competing hexagonal boron-nitride structure enhances the piezoelectric stress coefficient. Overall, this work provides insight into the understanding of the structure-processing-property relationships in the Al 1−x Sc x N system, suggests material design strategies for even greater property enhancements, and demonstrates the increased property tunability and underexplored nature of nonequilibrium heterostructural alloys.

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“…The controlled formation of precipitates in metastable alloys is a strategy that has long been successfully used in metallurgy to improve mechanical properties (e.g., precipitation strengthening in metals). Figure B highlights how different synthesis routes can result in varying degrees of non‐equilibrium solubility using the example of quarternary SnTe‐based alloys . A strong dependence of the non‐equilibrium solubility on the synthesis conditions can be utilized to experimentally target varying degrees of precipitation .…”

Section: Materials Design and Discovery In Heterostructural Semicondumentioning

confidence: 99%

“…Figure B highlights how different synthesis routes can result in varying degrees of non‐equilibrium solubility using the example of quarternary SnTe‐based alloys . A strong dependence of the non‐equilibrium solubility on the synthesis conditions can be utilized to experimentally target varying degrees of precipitation . While for optoelectronic applications precipitation is often considered detrimental, it can be an invaluable feat for others—for instance in thermoelectric materials development, where the controlled formation of nano‐precipitates is one of the most important strategies to increase phonon scattering and reduce thermal conductivity …”

Section: Materials Design and Discovery In Heterostructural Semicondumentioning

confidence: 99%

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Accessing Metastability in Heterostructural Semiconductor Alloys

Siol

2019

Physica Status Solidi (a)

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The increasing demand for novel inorganic materials with targeted functionality motivates moving beyond the area of traditionally explored near‐equilibrium materials by incorporating metastable phase space into materials design and discovery. It has recently been shown that heterostructural semiconductor alloys can exhibit increased regions of metastable phase space as compared to their isostructural counterparts. This phase space is accessible using non‐equilibrium deposition techniques, providing ample opportunities for the synthesis of novel, metastable, single‐phase alloys. In addition, the composition‐dependent structural transitions in heterostructural systems provide additional degrees of freedom for the tuning of functional properties. This perspective gives insight into the design of heterostructural semiconductor alloys and highlights their potential for future materials discovery. It is shown how combinatorial, non‐equilibrium physical vapor deposition can be used to effectively screen and access previously uncharted metastable phase space in such systems. In addition, it is demonstrated how differences in mixing enthalpies for different structures can be utilized to stabilize new alloy polymorphs with useful properties that cannot be found in either of the alloying endmembers. Finally, it is discussed how this conceptual approach can be used to screen high‐throughput computational databases, potentially revealing numerous materials systems where such novel metastable polymorphs can be discovered.

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Solubility limits in quaternary SnTe-based alloys

Cited by 15 publications

References 42 publications

High-performance SnSe thermoelectric materials: Progress and future challenge

High-performance SnSe thermoelectric materials: Progress and future challenge

Implications of heterostructural alloying for enhanced piezoelectric performance of (Al,Sc)N

Accessing Metastability in Heterostructural Semiconductor Alloys

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