Year: 2014
Type: article
Abstract: Using first-principles calculations and semi-classical Boltzmann transport theory, the thermoelectric properties of LaBiTe3 are studied. The band gap and, hence, the thermoelectric response are found to be easily tailored by application of strain. Independent of the temperature, the figure of merit turns out to be maximal at a doping of about 1.6 × 1021 cm–3. At room temperature we obtain values of 0.4 and 0.5 for unstrained and moderately strained LaBiTe3, which increases to 1.1 and 1.3 at 800 K. A large spin splitting is observed in the conduction band at the T point. Therefore, LaBiTe3 merges characteristics that are interesting for thermoelectric as well as spintronic devices. (© 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim)
Authors: Nirpendra Singh, Udo Schwingenschlögl
Institution: King Abdullah University of Science and Technology
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W1928145986