Prediction of nodal-line semimetals in two-dimensional black phosphorous films

Abstract Semimetals are a new kind of quantum materials, in which the conduction and valence bands cross each other near the Fermi level. Based on density-functional theory calculations and symmetry analysis, we propose nodal-line semimetals in layered stacked black phosphorus (BP) films which are d...

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Autores principales:	Xiaojuan Liu, Hairui Bao, Yue Li, Zhongqin Yang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e8b7acb3301e4566b9fc2f87df88f6d0
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spelling	oai:doaj.org-article:e8b7acb3301e4566b9fc2f87df88f6d02021-12-02T16:08:57ZPrediction of nodal-line semimetals in two-dimensional black phosphorous films10.1038/s41598-020-78451-72045-2322https://doaj.org/article/e8b7acb3301e4566b9fc2f87df88f6d02020-12-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-78451-7https://doaj.org/toc/2045-2322Abstract Semimetals are a new kind of quantum materials, in which the conduction and valence bands cross each other near the Fermi level. Based on density-functional theory calculations and symmetry analysis, we propose nodal-line semimetals in layered stacked black phosphorus (BP) films which are designed to have a mirror symmetry lying in the BP layer plane and thus rendering them different from the BP film systems previously studied. A closed nodal-line degenerate band can appear around the Fermi level in the BP films after a biaxial compressive strain is applied. The calculated Z2 number of Z2 = − 1 indicates the robustness of the nodal-line semimetals obtained in the BP films, protected by the in-plane mirror symmetry. Intriguingly, with the increase of the film thickness, a smaller biaxial compressive strain is required to produce the nodal-line semimetals, more accessible in experiments. Our results provide a promising route to carrying out the nodal-line semimetals based on various two-dimensional materials.Xiaojuan LiuHairui BaoYue LiZhongqin YangNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-8 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Xiaojuan Liu Hairui Bao Yue Li Zhongqin Yang Prediction of nodal-line semimetals in two-dimensional black phosphorous films
description	Abstract Semimetals are a new kind of quantum materials, in which the conduction and valence bands cross each other near the Fermi level. Based on density-functional theory calculations and symmetry analysis, we propose nodal-line semimetals in layered stacked black phosphorus (BP) films which are designed to have a mirror symmetry lying in the BP layer plane and thus rendering them different from the BP film systems previously studied. A closed nodal-line degenerate band can appear around the Fermi level in the BP films after a biaxial compressive strain is applied. The calculated Z2 number of Z2 = − 1 indicates the robustness of the nodal-line semimetals obtained in the BP films, protected by the in-plane mirror symmetry. Intriguingly, with the increase of the film thickness, a smaller biaxial compressive strain is required to produce the nodal-line semimetals, more accessible in experiments. Our results provide a promising route to carrying out the nodal-line semimetals based on various two-dimensional materials.
format	article
author	Xiaojuan Liu Hairui Bao Yue Li Zhongqin Yang
author_facet	Xiaojuan Liu Hairui Bao Yue Li Zhongqin Yang
author_sort	Xiaojuan Liu
title	Prediction of nodal-line semimetals in two-dimensional black phosphorous films
title_short	Prediction of nodal-line semimetals in two-dimensional black phosphorous films
title_full	Prediction of nodal-line semimetals in two-dimensional black phosphorous films
title_fullStr	Prediction of nodal-line semimetals in two-dimensional black phosphorous films
title_full_unstemmed	Prediction of nodal-line semimetals in two-dimensional black phosphorous films
title_sort	prediction of nodal-line semimetals in two-dimensional black phosphorous films
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/e8b7acb3301e4566b9fc2f87df88f6d0
work_keys_str_mv	AT xiaojuanliu predictionofnodallinesemimetalsintwodimensionalblackphosphorousfilms AT hairuibao predictionofnodallinesemimetalsintwodimensionalblackphosphorousfilms AT yueli predictionofnodallinesemimetalsintwodimensionalblackphosphorousfilms AT zhongqinyang predictionofnodallinesemimetalsintwodimensionalblackphosphorousfilms
_version_	1718384505852526592

Prediction of nodal-line semimetals in two-dimensional black phosphorous films

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