Magnetism arising from Mexican-hat-like band dispersion in the WSe2/SnS2 heterostructure via interlayer strain
Mexican-hat-like band dispersion is extremely critical to the realization of hole-doping-induced magnetism in monolayer metal monochalcogenides. However, it is absent from transition-metal dichalcogenides (TMDCs), i.e., WSe2. Herein, using first-principles calculations, we show that Mexican-hat-like band dispersion can be achieved by applying interlayer strain (ε) in the WSe2/SnS2 van der Waals (vdW) heterostructure when ε exceeds 15%. This is because in the strain-induced distorted trigonal prismatic crystal field, at the valence band edge, the W_dz2 orbitals shift upward around the Γ point, while the double-degenerate W_dxy/dx2-y2 orbitals shift downward at the K point, resulting in Mexican-hat-like band dispersion near the Γ point when the energy level of the Γ point surpasses that of the K point. On account of the appearance of the Mexican-hat-like band edge (MHBE), hole-doping in the strained WSe2/SnS2 heterostructure induces magnetization readily from the nonmagnetized phase. Our findings may provide a new strategy for the realization of magnetized TMDC-based vdW heterostructures.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2020 |
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| Erschienen: |
2020 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:22 |
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| Enthalten in: |
Physical chemistry chemical physics : PCCP - 22(2020), 38 vom: 07. Okt., Seite 21961-21967 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Zhang, Shuai [VerfasserIn] |
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| Links: |
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| Themen: |
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| Anmerkungen: |
Date Revised 07.10.2020 published: Print Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1039/d0cp03141k |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM315454172 |
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| 100 | 1 | |a Zhang, Shuai |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Magnetism arising from Mexican-hat-like band dispersion in the WSe2/SnS2 heterostructure via interlayer strain |
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| 500 | |a Date Revised 07.10.2020 | ||
| 500 | |a published: Print | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Mexican-hat-like band dispersion is extremely critical to the realization of hole-doping-induced magnetism in monolayer metal monochalcogenides. However, it is absent from transition-metal dichalcogenides (TMDCs), i.e., WSe2. Herein, using first-principles calculations, we show that Mexican-hat-like band dispersion can be achieved by applying interlayer strain (ε) in the WSe2/SnS2 van der Waals (vdW) heterostructure when ε exceeds 15%. This is because in the strain-induced distorted trigonal prismatic crystal field, at the valence band edge, the W_dz2 orbitals shift upward around the Γ point, while the double-degenerate W_dxy/dx2-y2 orbitals shift downward at the K point, resulting in Mexican-hat-like band dispersion near the Γ point when the energy level of the Γ point surpasses that of the K point. On account of the appearance of the Mexican-hat-like band edge (MHBE), hole-doping in the strained WSe2/SnS2 heterostructure induces magnetization readily from the nonmagnetized phase. Our findings may provide a new strategy for the realization of magnetized TMDC-based vdW heterostructures | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Li, Chong |e verfasserin |4 aut | |
| 700 | 1 | |a Shang, Jimin |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Haisheng |e verfasserin |4 aut | |
| 700 | 1 | |a Wang, Zhaowu |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Liben |e verfasserin |4 aut | |
| 700 | 1 | |a Jia, Yu |e verfasserin |4 aut | |
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