Doping induced enhanced density of states in bismuth telluride

Abstract

Power factor enhancement through resonant doping is explored in Bi2Te3 based on a detailed first-principles study. Of the dopant atoms investigated, it is found that the formation of resonant states may be achieved with In, Po, and Na, leading potentially to a significant increase in the thermoelectric efficiency at room temperature. While doping with Po forms twin resonant state peaks in the valence and conduction bands, the incorporation of Na or In results in the resonant states close to the valence band edge. Further analysis reveals the origin of these resonant states. Transport calculations are also carried out to estimate the anticipated level of enhancement.

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 04, 2017
Source ID
10.1063/1.4989602

Entities

People

  • Daryoosh Vashaee
  • K. W. Kim
  • Namita Narendra
  • Payam Norouzzadeh

Organizations

  • Air Force Office of Scientific Research
  • National Science Foundation
  • North Carolina State University

Tags

Fields of Study

  • Materials science

Readers

  • Information Retrieval
  • Quantum Chemistry
  • Semiconductor Device Technology