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Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices

Shuo Deng, Lijie Li Orcid Logo, Yan Zhang

ACS Applied Nano Materials, Volume: 1, Issue: 4, Pages: 1932 - 1939

Swansea University Author: Lijie Li Orcid Logo

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DOI (Published version): 10.1021/acsanm.8b00363

Abstract

We study the electronic, mechanical and optical properties of the monolayer PdS2, PdSe2 and PtSe2 under mechanical strains of various magnitudes and directions. It is found that the band structures of these materials are more sensitive to biaxial strains. Moreover, the Young’s modulus of all three m...

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Published in: ACS Applied Nano Materials
ISSN: 2574-0970 2574-0970
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa39415
first_indexed 2018-04-16T13:41:47Z
last_indexed 2019-03-29T12:24:08Z
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spelling 2019-03-28T17:34:05.7781103 v2 39415 2018-04-16 Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 2018-04-16 ACEM We study the electronic, mechanical and optical properties of the monolayer PdS2, PdSe2 and PtSe2 under mechanical strains of various magnitudes and directions. It is found that the band structures of these materials are more sensitive to biaxial strains. Moreover, the Young’s modulus of all three materials are calculated in the a and b directions. Simulation results show the Young's modulus of monolayer PdS2, PdSe2 and PtSe2 are 116.4GPa, 58.5GPa and 115.9GPa in the a direction and 166.5GPa, 123.6GPa and 117.7GPa in the b direction. We analyze the peak shift of the real (ϵ1) and imaginary (ϵ2) parts of the complex dielectric constants for these three materials. We found that the peak of the complex dielectric constant red-shifts towards lower energy and ϵ1 (0) monotonously increase with the compressive and tensile strains increase. Among these three materials, PdS2 exhibits excellent electronic and optical tunability under tensile strains, for example the peak wavelength of the imaginary dielectric constant can be adjusted from 2eV to 1eV when the strain varies from 0% to 10%, leading to approximately 5% red-shift in wavelength per 1% mechanical tensile strain. It has been found that these monolayer materials exhibit excellent electronic and optical tunability under tensile strains, which has potential applications in tunable nanoelectromechanical devices. Journal Article ACS Applied Nano Materials 1 4 1932 1939 2574-0970 2574-0970 31 12 2018 2018-12-31 10.1021/acsanm.8b00363 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University 2019-03-28T17:34:05.7781103 2018-04-16T08:42:20.4534558 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Shuo Deng 1 Lijie Li 0000-0003-4630-7692 2 Yan Zhang 3 0039415-17042018133323.pdf deng2018(3).pdf 2018-04-17T13:33:23.6370000 Output 2270751 application/pdf Accepted Manuscript true 2019-04-13T00:00:00.0000000 true eng
title Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
spellingShingle Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
Lijie Li
title_short Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
title_full Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
title_fullStr Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
title_full_unstemmed Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
title_sort Strain Modulated Electronic, Mechanical, and Optical Properties of the Monolayer PdS2, PdSe2, and PtSe2 for Tunable Devices
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
author Lijie Li
author2 Shuo Deng
Lijie Li
Yan Zhang
format Journal article
container_title ACS Applied Nano Materials
container_volume 1
container_issue 4
container_start_page 1932
publishDate 2018
institution Swansea University
issn 2574-0970
2574-0970
doi_str_mv 10.1021/acsanm.8b00363
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
active_str 0
description We study the electronic, mechanical and optical properties of the monolayer PdS2, PdSe2 and PtSe2 under mechanical strains of various magnitudes and directions. It is found that the band structures of these materials are more sensitive to biaxial strains. Moreover, the Young’s modulus of all three materials are calculated in the a and b directions. Simulation results show the Young's modulus of monolayer PdS2, PdSe2 and PtSe2 are 116.4GPa, 58.5GPa and 115.9GPa in the a direction and 166.5GPa, 123.6GPa and 117.7GPa in the b direction. We analyze the peak shift of the real (ϵ1) and imaginary (ϵ2) parts of the complex dielectric constants for these three materials. We found that the peak of the complex dielectric constant red-shifts towards lower energy and ϵ1 (0) monotonously increase with the compressive and tensile strains increase. Among these three materials, PdS2 exhibits excellent electronic and optical tunability under tensile strains, for example the peak wavelength of the imaginary dielectric constant can be adjusted from 2eV to 1eV when the strain varies from 0% to 10%, leading to approximately 5% red-shift in wavelength per 1% mechanical tensile strain. It has been found that these monolayer materials exhibit excellent electronic and optical tunability under tensile strains, which has potential applications in tunable nanoelectromechanical devices.
published_date 2018-12-31T19:23:02Z
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score 11.04748

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