Table · dataset · 2017
Data for Determination of band offsets, hybridization and exciton binding in 2D semiconductor heterostructures
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Combining monolayers of different two-dimensional semiconductors into heterostructures creates new phenomena and device possibilities.
Description
Understanding and exploiting these phenomena hinge on knowing the electronic structure and the properties of interlayer excitations. We determine the key unknown parameters in MoSe2/WSe2 heterobilayers by using rational device design and submicrometer angle-resolved photoemission spectroscopy (μ-ARPES) in combination with photoluminescence.
We find that the bands in the K-point valleys are weakly hybridized, with a valence band offset of 300 meV, implying type II band alignment. We deduce that the binding energy of interlayer excitons is more than 200 meV, an order of magnitude higher than that in analogous GaAs structures. Hybridization strongly modifies the bands at Γ, but the valence band edge remains at the K points.
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We also find that the spectrum of a rotationally aligned heterobilayer reflects a mixture of commensurate and incommensurate domains. These results directly answer many outstanding questions about the electronic nature of MoSe2/WSe2 heterobilayers and demonstrate a practical approach for high spectral resolution in ARPES of device-scale structures.<br><br>These folders include the data used in the images in the main paper.
Further data can be obtained on request from the authors. Below are the scaling for the datasets, where required. Fig1 Fig1G_ML_WSe2 Wave: D3_05212M_K_k1_smth Type: FP64 Size: 586184 bytes Rows:309 Units:eV Start: -9.45 Delta: 0.0324 Columns:237 Units:kII Start: -0.571 Delta: 0.00826115
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None Fig1F_G_ML_WSe2_diff2 Wave: diff2MLWSe2 Type: FP64 Size: 558624 bytes Rows:292 Units:eV Start: -9.45 Delta: 0.0324 Columns:239 Units:kII Start: -0.571 Delta: 0.00816623
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None Fig1G_BL_WSe2 Wave: D3_05211M_K_k1 Type: FP64 Size: 586184 bytes Rows:309 Units:eV Start: -9.45 Delta: 0.0324 Columns:237 Units:kII Start: -0.562 Delta: 0.00820015
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None Fig1G_BL_WSe2_diff2 Wave: diff2_g_k_shift (BLWSe2) Type: FP64 Size: 558624 bytes Rows:292 Units:eV Start: -9.45 Delta: 0.0324 Columns:239 Units:kII Start: -0.562 Delta: 0.00811495
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None Fig1G_bulkWSe2 Wave: D3_05192M_K_k1_smth Type: FP64 Size: 596000 bytes Rows:340 Units:eV Start: -10.45 Delta: 0.0324 Columns:219 Units:kII Start: -0.45 Delta: 0.00925942
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None Fig1G_bulkWSe2_diff2 Wave: bulkWse2diff2 Type: FP64 Size: 519704 bytes Rows:323 Units:eV Start: -10.45 Delta: 0.0324 Columns:201 Units:kII Start: -0.251 Delta: 0.00902222 Fig1C_SPEM_MAX Wave: smi0521_029_smth_max Type: FP32 Size: 15572 bytes Rows:93 Units:um Start: 1681.5 Delta: 0.4 Columns:41 Units:um Start: -4789 Delta: 0.4 Fig1D_ML Wave: Pt1_smth Type: FP64 Size: 11664 bytes Rows:709 Units:None Start: -3.484 Delta: 0.0054 Columns:2 Units:None Start: 0 Delta: 1 Fig1D_BL Wave: Pt2_smth Type: FP64 Size: 11664 bytes Rows:709 Units:None Start: -3.484 Delta: 0.0054 Columns:2 Units:None Start: 0 Delta: 1
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None Fig1D_bulk Wave: Pt3_smth Type: FP64 Size: 11664 bytes Rows:709 Units:None Start: -3.484 Delta: 0.0054 Columns:2 Units:None Start: 0 Delta: 1
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None Fig1E_Gr_K Wave: SMP0521_026_k Type: FP64 Size: 95552 bytes Rows:93 Units:eV Start: -1.4 Delta: 0.0216 Columns:128 Units:k || Start: -0.583873 Delta: 0.00837474
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None Fig2 Fig2C_SPEM_MAX Wave: smi0715_022_smth_max Type: FP32 Size: 39912 bytes Rows:101 Units:um Start: 3113 Delta: 0.3 Columns:98 Units:um Start: -5607 Delta: 0.3
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None Fig2B_HS Wave: pt3_smth Type: FP64 Size: 10288 bytes Rows:623 Units:None Start: 0 Delta: 1 Columns:2 Units:None Start: 0 Delta: 1
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None Fig2B_MoSe2 Wave: pt1_smth Type: FP64 Size: 10288 bytes Rows:623 Units:None Start: 0 Delta: 1 Columns:2 Units:None Start: 0 Delta: 1
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None Fig2B_WSe2 Wave: pt4_smth Type: FP64 Size: 10288 bytes Rows:623 Units:None Start: 0 Delta: 1 Columns:2 Units:None Start: 0 Delta: 1
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None Fig2F_Heterobilayer Wave: processed_HS Type: FP64 Size: 303872 bytes Rows:186 Units:eV Start: -3.45 Delta: 0.0216 Columns:204 Units:kII Start: -0.44 Delta: 0.00998343
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None Fig2F_Heterobilayer_diff2 Wave: diff2_g_k_shift Type: FP64 Size: 272960 bytes Rows:160 Units:eV Start: -3.45 Delta: 0.0216 Columns:213 Units:kII Start: -0.475 Delta: 0.00982121
Note
None Fig2D_MoSe2 Wave: D3_07152ML_MoSe2 Type: FP64 Size: 200704 bytes Rows:124 Units:eV Start: -3.45 Delta: 0.0324 Columns:202 Units:kII Start: -0.44 Delta: 0.0102271
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None Fig2D_MoSe2_diff2 Wave: D3_07152ML_MoSe2_DIF_smth_DIF Type: FP64 Size: 173232 bytes Rows:107 Units:eV Start: -3.45 Delta: 0.0324 Columns:202 Units:kII Start: -0.44 Delta: 0.0102271
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None Fig2E_WSe2 Wave: processedMLWSe2 Type: FP64 Size: 197728 bytes Rows:124 Units:eV Start: -3.45 Delta: 0.0324 Columns:199 Units:kII Start: -0.43 Delta: 0.0101962
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None Fig2E_WSe2_diff2 Wave: diff2_g_k_shift_wse2 Type: FP64 Size: 181792 bytes Rows:107 Units:eV Start: -3.45 Delta: 0.0324 Columns:212 Units:kII Start: -0.495 Delta: 0.00991243
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None Fig2G_twistedbilayer Wave: SMP0215_015_k Type: FP64 Size: 201200 bytes Rows:186 Units:eV Start: -3.52 Delta: 0.0216 Columns:135 Units:k || Start: -0.59982 Delta: 0.00836993
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None Fig2G_twistedbilayer_diff2 Wave: HS_snap_15_2 Type: FP64 Size: 177440 bytes Rows:164 Units:eV Start: -3.52 Delta: 0.0216 Columns:135 Units:k || Start: -0.59982 Delta: 0.00836993
Note
None Fig4 Photoluminescence data for Fig4a: scaling is included in the .dat files. Fig4lower.dat is the peak positions as shown in the lower part of the figure, and Fig4upper.dat is the spectrum. DFT_QESPRESSO_DATA_FOR_SCI_ADV This contains the input and output files for the Quantum Espresso calculations.
Descriptions are contained within the individual folders.
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Where it is published
- DOI doi.org/10.82444/warw.33729112.v1 ↗
DOI / persistent id · from figshare com
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
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- Inferred from text
- Image 65% · Optical properties of materials 75%
Provenance · 1 source records, 18 field assertions
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|---|---|---|---|
| figshare | oai:figshare.com:article/33729112 | 11 d ago | JSON v1 |
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| concepts[field].local:field:chemistry | mapping · figshare com | connector:figshare_com@1.0.0 | |
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| license | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/rights |
| publication_date | source · figshare com | connector:figshare_com@1.0.0 | |
| title | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/title |