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Title: Record-Low and Anisotropic Thermal Conductivity of a Quasi-One-Dimensional Bulk ZrTe 5 Single Crystal

Abstract

Zirconium pentatelluride (ZrTe 5) has recently attracted renewed interest owing to many of its newly discovered extraordinary physical properties, such as 2D and 3D topological-insulator behavior, pressure-induced superconductivity, Weyl semimetal behavior, Zeeman splitting, and resistivity anomaly. The quasi-one-dimensional structure of single-crystal ZrTe 5 also promises large anisotropy in its thermal properties, which have not yet been studied. In this work, via time-domain thermoreflectance measurements, ZrTe 5 single crystals are discovered to possess a record-low thermal conductivity along the b-axis (through-plane), as small as 0.33 ± 0.03 W m –1 K –1 at room temperature. This ultralow b-axis thermal conductivity is 12 times smaller than its a-axis thermal conductivity (4 ± 1 W m –1 K –1) owing to the material’s asymmetrical crystalline structure. First-principles calculations are further conducted to reveal the physical origins of the ultralow b-axis thermal conductivity, which can be attributed to: (1) the resonant bonding and strong lattice anharmonicity induced by electron lone pairs, (2) the weak interlayer van der Waals interactions, and (3) the heavy mass of Te atoms, which results in low phonon group velocity. This work sheds light on the design and engineering of high-efficiency thermal insulators for applications such as thermal barrier coatings,more » thermoelectrics, thermal energy storage, and thermal management.« less

Authors:
 [1];  [2];  [3];  [4];  [5];  [4];  [2]; ORCiD logo [3]; ORCiD logo [5]
  1. Dalian Univ. of Technology, Dalian, Liaoning (China). Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education
  2. Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy and Dept. of Electrical Engineering and Computer Science; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  3. Stony Brook Univ., NY (United States). Dept. of Physics and Astronomy
  4. Southern Univ. of Science and Technology, Shenzhen, Guangdong (China). Dept. of Physics
  5. Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Mechanical Engineering, and Dept. of Electrical and Computer Engineering
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); Brookhaven National Lab. (BNL), Upton, NY (United States); Vanderbilt Univ., Nashville, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1543693
Grant/Contract Number:  
AC02-05CH11231; SC0012704; FG02-09ER46554
Resource Type:
Accepted Manuscript
Journal Name:
ACS Applied Materials and Interfaces
Additional Journal Information:
Journal Volume: 10; Journal Issue: 47; Journal ID: ISSN 1944-8244
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Science & Technology - Other Topics; Materials Science

Citation Formats

Zhu, Jie, Feng, Tianli, Mills, Scott, Wang, Peipei, Wu, Xuewang, Zhang, Liyuan, Pantelides, Sokrates T., Du, Xu, and Wang, Xiaojia. Record-Low and Anisotropic Thermal Conductivity of a Quasi-One-Dimensional Bulk ZrTe 5 Single Crystal. United States: N. p., 2018. Web. doi:10.1021/acsami.8b12504.
Zhu, Jie, Feng, Tianli, Mills, Scott, Wang, Peipei, Wu, Xuewang, Zhang, Liyuan, Pantelides, Sokrates T., Du, Xu, & Wang, Xiaojia. Record-Low and Anisotropic Thermal Conductivity of a Quasi-One-Dimensional Bulk ZrTe 5 Single Crystal. United States. doi:10.1021/acsami.8b12504.
Zhu, Jie, Feng, Tianli, Mills, Scott, Wang, Peipei, Wu, Xuewang, Zhang, Liyuan, Pantelides, Sokrates T., Du, Xu, and Wang, Xiaojia. Fri . "Record-Low and Anisotropic Thermal Conductivity of a Quasi-One-Dimensional Bulk ZrTe 5 Single Crystal". United States. doi:10.1021/acsami.8b12504. https://www.osti.gov/servlets/purl/1543693.
@article{osti_1543693,
title = {Record-Low and Anisotropic Thermal Conductivity of a Quasi-One-Dimensional Bulk ZrTe 5 Single Crystal},
author = {Zhu, Jie and Feng, Tianli and Mills, Scott and Wang, Peipei and Wu, Xuewang and Zhang, Liyuan and Pantelides, Sokrates T. and Du, Xu and Wang, Xiaojia},
abstractNote = {Zirconium pentatelluride (ZrTe5) has recently attracted renewed interest owing to many of its newly discovered extraordinary physical properties, such as 2D and 3D topological-insulator behavior, pressure-induced superconductivity, Weyl semimetal behavior, Zeeman splitting, and resistivity anomaly. The quasi-one-dimensional structure of single-crystal ZrTe5 also promises large anisotropy in its thermal properties, which have not yet been studied. In this work, via time-domain thermoreflectance measurements, ZrTe5 single crystals are discovered to possess a record-low thermal conductivity along the b-axis (through-plane), as small as 0.33 ± 0.03 W m–1 K–1 at room temperature. This ultralow b-axis thermal conductivity is 12 times smaller than its a-axis thermal conductivity (4 ± 1 W m–1 K–1) owing to the material’s asymmetrical crystalline structure. First-principles calculations are further conducted to reveal the physical origins of the ultralow b-axis thermal conductivity, which can be attributed to: (1) the resonant bonding and strong lattice anharmonicity induced by electron lone pairs, (2) the weak interlayer van der Waals interactions, and (3) the heavy mass of Te atoms, which results in low phonon group velocity. This work sheds light on the design and engineering of high-efficiency thermal insulators for applications such as thermal barrier coatings, thermoelectrics, thermal energy storage, and thermal management.},
doi = {10.1021/acsami.8b12504},
journal = {ACS Applied Materials and Interfaces},
number = 47,
volume = 10,
place = {United States},
year = {2018},
month = {11}
}

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