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2025 Vol.35, Issue 2 Preview Page

Research Paper

Influence of Band Gap Enlargement on Thermoelectric Performance in Cu0.008Bi2Te3

밴드 갭 증가가 Cu0.008Bi2Te3의 열전 성능에 미치는 영향

Hyunjin Park1
,
Okmin Park1
,
Changwoo Lee1
,
Young-Woo Kim1
,
Sang-il Kim1†
,
Hyun-Sik Kim1†
박 현진1
,
박 옥민1
,
이 창우1
,
김 영우1
,
김 상일1†
,
김 현식1†
1Department of Material Science and Engineering, University of Seoul, Seoul 02504, Republic of Korea
1서울시립대학교 신소재공학과
†Corresponding author E-Mail : sang1.kim@uos.ac.kr (S.-i. Kim, Univ. Seoul) hyunsik.kim@uos.ac.kr (H.-S. Kim, Univ. Seoul)
27 February 2025. pp. 96-106
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Abstract

We investigated the effect of band gap engineering on the thermoelectric properties of n-type Cu0.008Bi2Te3 using the two-band (TB) model. The experimental measurements showed a zT of ~0.41 at 300 K and ~0.46 at 520 K, with an optical band gap of ~0.13 eV. While fixing the density-of-state effective mass (md*), deformation potential (Edef), lattice thermal conductivity (κl), and Fermi level based fitted based on experimental data, we varied the band gap (Eg) from 0.1 to 0.3 eV to analyze its impact on the thermoelectric performance. The TB model calculations revealed that the power factor (PF) increased and the thermal conductivity (κ) decreased with increasing Eg at both 300 K and 520 K, leading to an enhancement in zT. The magnitude of this enhancement was more pronounced at 520 K than at 300 K, which can be attributed to the suppressed bipolar effects at higher temperatures. Our findings suggest that increasing the band gap of Cu0.008Bi2Te3 can significantly improve its thermoelectric performance, to an estimated maximum zT of ~0.61 at 520 K for Eg = 0.3 eV. The theoretical maximum zT, considering the optimized hole concentration (nH), was estimated to be ~0.75. We demonstrate that Eg engineering of narrow-bandgap semiconductor thermoelectric materials can significantly enhance thermoelectric performance.

Keywords
n-type Cu0.008Bi2Te3
density-of-state effective mass
deformation potential
lattice thermal conductivity
two-band model
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Information
  • Publisher :Materials Research Society of Korea
  • Publisher(Ko) :한국재료학회
  • Journal Title :Korean Journal of Materials Research
  • Journal Title(Ko) :한국재료학회지
  • Volume : 35
  • No :2
  • Pages :96-106
  • Received Date : 2025-01-02
  • Revised Date : 2025-01-21
  • Accepted Date : 2025-01-22
  • DOI :https://doi.org/10.3740/MRSK.2025.35.2.96
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