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Title: How to realize the spin-Seebeck effect with a high spin figure of merit in magnetic boron–nitrogen nanoribbon and nanotube structures?

Abstract

The spin-Seebeck effect (SSE) has been regarded as one of the core topics in spin caloritronics. To realize the SSE together with high spin thermoelectric conversion efficiency (TCE), two nanoscale structures referred to as nanoribbons and nanotubes have long been regarded as potential candidates. To illustrate their advantages to the above end, we construct magnetic boron–nitrogen nanoribbons (BNNRs) and nanotubes (BNNTs) by substituting some B atoms with carbon, and the BNNTs can be rolled from the BNNRs. To unify the magnetism origins, the edge magnetisms in BNNRs are cancelled by hydrogen passivation. Our theoretical results show that although these two different structures display similar spin semiconducting states, the BNNRs have lower lattice thermal conductance due to the phonon scattering at edges, contributing to the enhancement of the spin figure of merit; while the BNNTs can generate a better SSE and larger spin thermopower, due to the rotational symmetry. Moreover, we remove the hydrogen passivation from the BNNRs to construct another typical class of magnetic BNNRs, the electronic state which is changed to a magnetic metallic one, which suppresses the spin thermopower and the SSE largely. Systematic and comparative studies help us to choose feasible routes to improve and design themore » SSE with a high spin figure of merit in nanoscale structures, and give us deep understanding into the device applications of spin caloritronics based on nanoribbon and nanotube materials.« less

Authors:
 [1]; ORCiD logo [2];  [1]; ORCiD logo [3]
  1. Huazhong Univ. of Science and Technology, Wuhan (China)
  2. Huazhong Univ. of Science and Technology, Wuhan (China); Univ. of California, Irvine, CA (United States)
  3. Univ. of California, Irvine, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Irvine, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1543822
Alternate Identifier(s):
OSTI ID: 1471790
Grant/Contract Number:  
FG02-05ER46237
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Materials Chemistry C
Additional Journal Information:
Journal Volume: 6; Journal Issue: 39; Journal ID: ISSN 2050-7526
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Materials Science; Physics

Citation Formats

Wu, Dan-Dan, Fu, Hua-Hua, Liu, Qing-Bo, and Wu, Ruqian. How to realize the spin-Seebeck effect with a high spin figure of merit in magnetic boron–nitrogen nanoribbon and nanotube structures?. United States: N. p., 2018. Web. doi:10.1039/c8tc03560a.
Wu, Dan-Dan, Fu, Hua-Hua, Liu, Qing-Bo, & Wu, Ruqian. How to realize the spin-Seebeck effect with a high spin figure of merit in magnetic boron–nitrogen nanoribbon and nanotube structures?. United States. https://doi.org/10.1039/c8tc03560a
Wu, Dan-Dan, Fu, Hua-Hua, Liu, Qing-Bo, and Wu, Ruqian. Thu . "How to realize the spin-Seebeck effect with a high spin figure of merit in magnetic boron–nitrogen nanoribbon and nanotube structures?". United States. https://doi.org/10.1039/c8tc03560a. https://www.osti.gov/servlets/purl/1543822.
@article{osti_1543822,
title = {How to realize the spin-Seebeck effect with a high spin figure of merit in magnetic boron–nitrogen nanoribbon and nanotube structures?},
author = {Wu, Dan-Dan and Fu, Hua-Hua and Liu, Qing-Bo and Wu, Ruqian},
abstractNote = {The spin-Seebeck effect (SSE) has been regarded as one of the core topics in spin caloritronics. To realize the SSE together with high spin thermoelectric conversion efficiency (TCE), two nanoscale structures referred to as nanoribbons and nanotubes have long been regarded as potential candidates. To illustrate their advantages to the above end, we construct magnetic boron–nitrogen nanoribbons (BNNRs) and nanotubes (BNNTs) by substituting some B atoms with carbon, and the BNNTs can be rolled from the BNNRs. To unify the magnetism origins, the edge magnetisms in BNNRs are cancelled by hydrogen passivation. Our theoretical results show that although these two different structures display similar spin semiconducting states, the BNNRs have lower lattice thermal conductance due to the phonon scattering at edges, contributing to the enhancement of the spin figure of merit; while the BNNTs can generate a better SSE and larger spin thermopower, due to the rotational symmetry. Moreover, we remove the hydrogen passivation from the BNNRs to construct another typical class of magnetic BNNRs, the electronic state which is changed to a magnetic metallic one, which suppresses the spin thermopower and the SSE largely. Systematic and comparative studies help us to choose feasible routes to improve and design the SSE with a high spin figure of merit in nanoscale structures, and give us deep understanding into the device applications of spin caloritronics based on nanoribbon and nanotube materials.},
doi = {10.1039/c8tc03560a},
url = {https://www.osti.gov/biblio/1543822}, journal = {Journal of Materials Chemistry C},
issn = {2050-7526},
number = 39,
volume = 6,
place = {United States},
year = {2018},
month = {8}
}

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