Advanced Electronic Materials · 2019 · 795 citations · 156 references
Natural SciencesMaterials EngineeringMaterials ScienceCondensed Matter PhysicsElectronic MaterialsMaterials PhysicsSemiconductor Device MaterialsThermal Properties Of MaterialsThermal Properties Of SemiconductorsThermoelectric MaterialsWide Band Gap SemiconductorsWide-bandgap SemiconductorsBand DegeneracyBismuth Telluride-based MaterialsElectronic Band GapLattice Thermal ConductivityThermal ConductivityThermoelectric Figure Of MeritThermoelectric PropertiesThermoelectric Transport
Bismuth telluride, especially Bi₂Te₃ and its alloys, is the leading material for Peltier cooling and thermoelectric generators because it has the highest room‑temperature figure of merit, driven by high band degeneracy, low effective mass, high carrier mobility, and low lattice thermal conductivity. This review aims to identify and quantify the key material properties that make Bi₂Te₃ such a good thermoelectric, to guide improvements or alternative materials. The authors compile and augment literature data to quantify these parameters, providing insight into tailoring the electronic band structure through alloying and reducing thermal conductivity via nanostructuring. The analysis shows that minority carrier excitation across the small bandgap limits performance even at room temperature, indicating that larger bandgap alloys are needed for higher‑temperature operation, and the quantified parameters can benchmark future improvements or replacements.
Abstract Bismuth telluride is the working material for most Peltier cooling devices and thermoelectric generators. This is because Bi 2 Te 3 (or more precisely its alloys with Sb 2 Te 3 for p‐type and Bi 2 Se 3 for n‐type material) has the highest thermoelectric figure of merit, zT , of any material around room temperature. Since thermoelectric technology will be greatly enhanced by improving Bi 2 Te 3 or finding a superior material, this review aims to identify and quantify the key material properties that make Bi 2 Te 3 such a good thermoelectric. The large zT can be traced to the high band degeneracy, low effective mass, high carrier mobility, and relatively low lattice thermal conductivity, which all contribute to its remarkably high thermoelectric quality factor. Using literature data augmented with newer results, these material parameters are quantified, giving clear insight into the tailoring of the electronic band structure of Bi 2 Te 3 by alloying, or reducing thermal conductivity by nanostructuring. For example, this analysis clearly shows that the minority carrier excitation across the small bandgap significantly limits the thermoelectric performance of Bi 2 Te 3 , even at room temperature, showing that larger bandgap alloys are needed for higher temperature operation. Such effective material parameters can also be used for benchmarking future improvements in Bi 2 Te 3 or new replacement materials.
156
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17