Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure

The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied v...
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Autor*in:	Lingxia Zhang [verfasserIn] Le Huang [verfasserIn] Tao Yin [verfasserIn] Yibin Yang [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2021

Schlagwörter:	BlueP/WSe external strain band gap tailoring first-principles calculations

Übergeordnetes Werk:	In: Crystals - MDPI AG, 2011, 11(2021), 5, p 470
Übergeordnetes Werk:	volume:11 ; year:2021 ; number:5, p 470

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/cryst11050470

Katalog-ID:	DOAJ030889170

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520			\|a The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection.
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spelling	10.3390/cryst11050470 doi (DE-627)DOAJ030889170 (DE-599)DOAJ9f1ecd66ccbb4d58899a7694730b10e8 DE-627 ger DE-627 rakwb eng QD901-999 Lingxia Zhang verfasserin aut Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection. BlueP/WSe<sub<2</sub< vdW heterostructure external strain band gap tailoring first-principles calculations Crystallography Le Huang verfasserin aut Tao Yin verfasserin aut Yibin Yang verfasserin aut In Crystals MDPI AG, 2011 11(2021), 5, p 470 (DE-627)718303067 (DE-600)2661516-2 20734352 nnns volume:11 year:2021 number:5, p 470 https://doi.org/10.3390/cryst11050470 kostenfrei https://doaj.org/article/9f1ecd66ccbb4d58899a7694730b10e8 kostenfrei https://www.mdpi.com/2073-4352/11/5/470 kostenfrei https://doaj.org/toc/2073-4352 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 11 2021 5, p 470
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allfieldsGer	10.3390/cryst11050470 doi (DE-627)DOAJ030889170 (DE-599)DOAJ9f1ecd66ccbb4d58899a7694730b10e8 DE-627 ger DE-627 rakwb eng QD901-999 Lingxia Zhang verfasserin aut Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection. BlueP/WSe<sub<2</sub< vdW heterostructure external strain band gap tailoring first-principles calculations Crystallography Le Huang verfasserin aut Tao Yin verfasserin aut Yibin Yang verfasserin aut In Crystals MDPI AG, 2011 11(2021), 5, p 470 (DE-627)718303067 (DE-600)2661516-2 20734352 nnns volume:11 year:2021 number:5, p 470 https://doi.org/10.3390/cryst11050470 kostenfrei https://doaj.org/article/9f1ecd66ccbb4d58899a7694730b10e8 kostenfrei https://www.mdpi.com/2073-4352/11/5/470 kostenfrei https://doaj.org/toc/2073-4352 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 11 2021 5, p 470
allfieldsSound	10.3390/cryst11050470 doi (DE-627)DOAJ030889170 (DE-599)DOAJ9f1ecd66ccbb4d58899a7694730b10e8 DE-627 ger DE-627 rakwb eng QD901-999 Lingxia Zhang verfasserin aut Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection. BlueP/WSe<sub<2</sub< vdW heterostructure external strain band gap tailoring first-principles calculations Crystallography Le Huang verfasserin aut Tao Yin verfasserin aut Yibin Yang verfasserin aut In Crystals MDPI AG, 2011 11(2021), 5, p 470 (DE-627)718303067 (DE-600)2661516-2 20734352 nnns volume:11 year:2021 number:5, p 470 https://doi.org/10.3390/cryst11050470 kostenfrei https://doaj.org/article/9f1ecd66ccbb4d58899a7694730b10e8 kostenfrei https://www.mdpi.com/2073-4352/11/5/470 kostenfrei https://doaj.org/toc/2073-4352 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 11 2021 5, p 470
language	English
source	In Crystals 11(2021), 5, p 470 volume:11 year:2021 number:5, p 470
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topic_facet	BlueP/WSe<sub<2</sub< vdW heterostructure external strain band gap tailoring first-principles calculations Crystallography
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container_title	Crystals
authorswithroles_txt_mv	Lingxia Zhang @@aut@@ Le Huang @@aut@@ Tao Yin @@aut@@ Yibin Yang @@aut@@
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callnumber-first	Q - Science
author	Lingxia Zhang
spellingShingle	Lingxia Zhang misc QD901-999 misc BlueP/WSe<sub<2</sub< vdW heterostructure misc external strain misc band gap tailoring misc first-principles calculations misc Crystallography Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure
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topic_title	QD901-999 Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure BlueP/WSe<sub<2</sub< vdW heterostructure external strain band gap tailoring first-principles calculations
topic	misc QD901-999 misc BlueP/WSe<sub<2</sub< vdW heterostructure misc external strain misc band gap tailoring misc first-principles calculations misc Crystallography
topic_unstemmed	misc QD901-999 misc BlueP/WSe<sub<2</sub< vdW heterostructure misc external strain misc band gap tailoring misc first-principles calculations misc Crystallography
topic_browse	misc QD901-999 misc BlueP/WSe<sub<2</sub< vdW heterostructure misc external strain misc band gap tailoring misc first-principles calculations misc Crystallography
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
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title	Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure
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title_full	Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure
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title_sort	strain-induced tunable band offsets in blue phosphorus and wse<sub<2</sub< van der waals heterostructure
callnumber	QD901-999
title_auth	Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure
abstract	The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection.
abstractGer	The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection.
abstract_unstemmed	The electronic structure and band offsets of blue phosphorus/WSe<sub<2</sub< van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe<sub<2</sub< vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe<sub<2</sub< can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe<sub<2</sub< vdW heterostructure a good candidate for future applications in photodetection.
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title_short	Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure
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Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe<sub<2</sub< van der Waals Heterostructure

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