Connecting thermoelectric performance and topological-insulator behavior: Bi$_2$Te$_3$ and Bi$_{2}$Te$_{2}$Se from first principles

By Hongliang Shi, D. Parker, M. Du, David J. Singh. 2014

172 citations recorded by the source corpus.

Thermoelectric performance is of interest for numerous applications such as waste heat recovery and solid state energy conversion, and will be seen to be closely connected to topological insulator behavior. In this context we here report first principles transport and defect calculations for Bi$_{2}$Te$_{2}$Se in relation to Bi$_{2}$Te$_{3}$. The two compounds are found to contain remarkably different electronic structures in spite of being isostructural and isoelectronic. We discuss these results in terms of the topological insulator characteristics of these compounds.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e5b6474880cff04a4cc241f754545ba831bcad52

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Lidong Chen
2. David J. Singh
3. C. Uher
4. Xun Shi

In Materials Chemistry

1. Lidong Chen
2. Xun Shi
3. C. Uher
4. Wenqing Zhang
5. Jihui Yang
6. David J. Singh
7. Li-dong Zhao
8. M. Kanatzidis

Citations in the corpus

• On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective (2016, background): “Shi et al.64 also connected the topological insulator property to TE performance based on calculations for Bi2Te3 and Bi2Te2Se, more from the band complexity point of view.”