Using heterostructural alloying to tune the structure and properties of the thermoelectric Sn1-xCaxSe

作者:Matthews Bethany E*; Holder Aaron M; Schelhas Laura T; Siol Sebastian; May James W; Forkner Michael R; Vigil Fowler Derek; Toney Michael F; Perkins John D; Gorman Brian P; Zakutayev Andriy; Lany Stephan; Tate Janet
来源:Journal of Materials Chemistry A, 2017, 5(32): 16873-16882.
DOI:10.1039/c7ta03694a

摘要

We grow and kinetically stabilize the isotropic rocksalt phase of SnSe thin films by alloying SnSe with CaSe. Thin polycrystalline films of the metastable heterostructural alloy Sn1-xCaxSe are synthesized by pulsed laser deposition on amorphous SiO2 over the entire composition range 0 < x < 1. We observe the theoreticallypredicted, composition-driven change from a layered, orthorhombic structure to an isotropic, cubic structure near x = 0.18, in reasonable agreement with the theoretical value of x = 0.13 calculated from first principles. The optical band gap is highly non-linear in x and the trend agrees with theory predictions. Compared to the layered end-member SnSe, the isotropic alloy near the orthorhombic-torocksalt transition has a p-type electrical resistivity three orders of magnitude lower, and a thermoelectric power factor at least ten times larger. Thus manipulation of the structure of a functional material like SnSe via alloying may provide a new path to enhanced functionality, in this case, improved thermoelectric performance.

  • 出版日期2017-8-28