Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers

Abstract The interactions between electrons and phonons play the key role in determining the carrier transport properties in semiconductors. In this work, comprehensive investigations on full electron–phonon (el–ph) couplings and their influences on carrier mobility and thermoelectric (TE) performan...

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Autores principales:	Yu Wu, Bowen Hou, Ying Chen, Jiang Cao, Hezhu Shao, Yiming Zhang, Congcong Ma, Heyuan Zhu, Rongjun Zhang, Hao Zhang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/4ef651e3acf54ecb97c69387467526de
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spelling	oai:doaj.org-article:4ef651e3acf54ecb97c69387467526de2021-12-02T19:12:26ZStrong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers10.1038/s41524-021-00619-02057-3960https://doaj.org/article/4ef651e3acf54ecb97c69387467526de2021-09-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00619-0https://doaj.org/toc/2057-3960Abstract The interactions between electrons and phonons play the key role in determining the carrier transport properties in semiconductors. In this work, comprehensive investigations on full electron–phonon (el–ph) couplings and their influences on carrier mobility and thermoelectric (TE) performances of 2D group IV and V elemental monolayers are performed, and we also analyze the selection rules on el–ph couplings using group theory. For shallow n/p-dopings in Si, Ge, and Sn, ZA/TA/LO phonon modes dominate the intervalley scatterings. Similarly strong intervalley scatterings via ZA/TO phonon modes can be identified for CBM electrons in P, As, and Sb, and for VBM holes, ZA/TA phonon modes dominate intervalley scatterings in P while LA phonons dominate intravalley scatterings in As and Sb. By considering full el–ph couplings, the TE performance for these two series of monolayers are predicted, which seriously downgrades the thermoelectric figures of merits compared with those predicted by the constant relaxation time approximation.Yu WuBowen HouYing ChenJiang CaoHezhu ShaoYiming ZhangCongcong MaHeyuan ZhuRongjun ZhangHao ZhangNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Yu Wu Bowen Hou Ying Chen Jiang Cao Hezhu Shao Yiming Zhang Congcong Ma Heyuan Zhu Rongjun Zhang Hao Zhang Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
description	Abstract The interactions between electrons and phonons play the key role in determining the carrier transport properties in semiconductors. In this work, comprehensive investigations on full electron–phonon (el–ph) couplings and their influences on carrier mobility and thermoelectric (TE) performances of 2D group IV and V elemental monolayers are performed, and we also analyze the selection rules on el–ph couplings using group theory. For shallow n/p-dopings in Si, Ge, and Sn, ZA/TA/LO phonon modes dominate the intervalley scatterings. Similarly strong intervalley scatterings via ZA/TO phonon modes can be identified for CBM electrons in P, As, and Sb, and for VBM holes, ZA/TA phonon modes dominate intervalley scatterings in P while LA phonons dominate intravalley scatterings in As and Sb. By considering full el–ph couplings, the TE performance for these two series of monolayers are predicted, which seriously downgrades the thermoelectric figures of merits compared with those predicted by the constant relaxation time approximation.
format	article
author	Yu Wu Bowen Hou Ying Chen Jiang Cao Hezhu Shao Yiming Zhang Congcong Ma Heyuan Zhu Rongjun Zhang Hao Zhang
author_facet	Yu Wu Bowen Hou Ying Chen Jiang Cao Hezhu Shao Yiming Zhang Congcong Ma Heyuan Zhu Rongjun Zhang Hao Zhang
author_sort	Yu Wu
title	Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
title_short	Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
title_full	Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
title_fullStr	Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
title_full_unstemmed	Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
title_sort	strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-iv/v elemental monolayers
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/4ef651e3acf54ecb97c69387467526de
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Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers

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