LaPtSb: a half-Heusler compound with high thermoelectric performance

Area of Science:

• Materials Science
• Condensed Matter Physics
• Solid State Chemistry

Background:

• Half-Heusler compounds are a class of materials with potential thermoelectric applications.
• Optimizing thermoelectric performance requires balancing electrical and thermal transport properties.

Purpose of the Study:

• To investigate the electronic and transport properties of the half-Heusler compound LaPtSb.
• To evaluate its potential as a high-performance thermoelectric material.

Main Methods:

• First-principles calculations were employed to study LaPtSb.
• Semi-classical Boltzmann theory and deformation potential theory were used to analyze transport properties.

Main Results:

• LaPtSb exhibits a significantly larger power factor at room temperature compared to typical half-Heusler compounds, particularly for n-type systems.
• The compound possesses very low lattice thermal conductivity.
• The thermoelectric figure of merit (ZT) was optimized to a record value of 2.2 by adjusting carrier concentration.

Conclusions:

• LaPtSb is a highly promising material for thermoelectric applications.
• Fine-tuning carrier concentration is crucial for maximizing the thermoelectric performance of LaPtSb.
• The findings suggest LaPtSb could lead to advancements in waste heat recovery and solid-state cooling.