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Title: Comparison of the electronic and thermoelectric properties of three layered phases Bi 2Te 3, PbBi 2Te 4 and PbBi 4Te 7: LEGO thermoelectrics

Abstract

The electronic and thermoelectric properties of Bi 2Te 3, PbBi 2Te 4 and PbBi 4Te 7 were examined on the basis of density functional theory (DFT) calculations and thermoelectric transport property measurements. The layered phase PbBi 4Te 7 is composed of the slabs forming the layered phases Bi 2Te 3and PbBi 2Te 4. The electronic structure of PbBi 4Te 7 around the valence band maximum and conduction band minimum exhibits those of Bi 2Te 3 and PbBi 2Te 4. The band gap of PbBi 4Te 7 lies in between those of Bi 2Te 3and PbBi 2Te 4, and the density of states of PbBi 4Te 7 is well approximated by the sum of those of Bi2Te3 and PbBi 2Te 4. In terms of the carrier concentration, the carrier mobility, the carrier lifetime, the electrical conductivity normalized to the carrier lifetime, and the effective mass, the layered phases Bi 2Te 3, PbBi 2Te 4 and PbBi 4Te 7 form a group of thermoelectrics, which have the structures composed of several different slabs and whose thermoelectric properties are approximated by the average of those of the constituent slabs. We propose to use the term “LEGO thermoelectrics” to describe such a family ofmore » thermoelectric materials that operate in a desired temperature range and possess predictable thermoelectric properties.« less

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [3];  [1]; ORCiD logo [4];  [5]
  1. Pohang Univ. of Science and Technology, Pohang (South Korea). Dept. of Chemistry, and Division of Advanced Nuclear Engineering
  2. Pohang Univ. of Science and Technology, Pohang (South Korea). Dept. of Chemistry
  3. Sungkyunkwan Univ., Suwon (South Korea). School of Advanced Materials Science and Engineering
  4. Pukyong National Univ., Busan (South Korea). Dept. of Materials System Engineering
  5. Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1543882
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 8; Journal Issue: 11; Journal ID: ISSN 2158-3226
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
Science & Technology - Other Topics; Materials Science; Physics

Citation Formats

Lee, Changhoon, Kim, Jae Nyeong, Tak, Jang-Yeul, Cho, Hyung Koun, Shim, Ji Hoon, Lim, Young Soo, and Whangbo, Myung-Hwan. Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics. United States: N. p., 2018. Web. doi:10.1063/1.5047823.
Lee, Changhoon, Kim, Jae Nyeong, Tak, Jang-Yeul, Cho, Hyung Koun, Shim, Ji Hoon, Lim, Young Soo, & Whangbo, Myung-Hwan. Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics. United States. doi:10.1063/1.5047823.
Lee, Changhoon, Kim, Jae Nyeong, Tak, Jang-Yeul, Cho, Hyung Koun, Shim, Ji Hoon, Lim, Young Soo, and Whangbo, Myung-Hwan. Thu . "Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics". United States. doi:10.1063/1.5047823. https://www.osti.gov/servlets/purl/1543882.
@article{osti_1543882,
title = {Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics},
author = {Lee, Changhoon and Kim, Jae Nyeong and Tak, Jang-Yeul and Cho, Hyung Koun and Shim, Ji Hoon and Lim, Young Soo and Whangbo, Myung-Hwan},
abstractNote = {The electronic and thermoelectric properties of Bi2Te3, PbBi2Te4 and PbBi4Te7 were examined on the basis of density functional theory (DFT) calculations and thermoelectric transport property measurements. The layered phase PbBi4Te7 is composed of the slabs forming the layered phases Bi2Te3and PbBi2Te4. The electronic structure of PbBi4Te7 around the valence band maximum and conduction band minimum exhibits those of Bi2Te3 and PbBi2Te4. The band gap of PbBi4Te7 lies in between those of Bi2Te3and PbBi2Te4, and the density of states of PbBi4Te7 is well approximated by the sum of those of Bi2Te3 and PbBi2Te4. In terms of the carrier concentration, the carrier mobility, the carrier lifetime, the electrical conductivity normalized to the carrier lifetime, and the effective mass, the layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7 form a group of thermoelectrics, which have the structures composed of several different slabs and whose thermoelectric properties are approximated by the average of those of the constituent slabs. We propose to use the term “LEGO thermoelectrics” to describe such a family of thermoelectric materials that operate in a desired temperature range and possess predictable thermoelectric properties.},
doi = {10.1063/1.5047823},
journal = {AIP Advances},
number = 11,
volume = 8,
place = {United States},
year = {2018},
month = {11}
}

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