Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructures

Wilson, Neil R.; Nguyen, Paul V.; Seyler, Kyle; Rivera, Pasqual; Marsden, Alexander J.; Laker, Zachary P. L.; Constantinescu, Gabriel C.; Kandyba, Viktor; Barinov, Alexei; Hine, Nicholas D. M.; Xu, Xiaodong; Cobden, David H.

doi:10.1126/sciadv.1601832

Title: Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructures

Journal Article · Wed Feb 01 00:00:00 EST 2017 · Science Advances

DOI:https://doi.org/10.1126/sciadv.1601832· OSTI ID:1463890

Wilson, Neil R. ^[1];

^[2]; Seyler, Kyle ^[2];

^[2];

^[1]; Laker, Zachary P. L. ^[1]; Constantinescu, Gabriel C. ^[3]; Kandyba, Viktor ^[4];

^[5];

^[1]; Xu, Xiaodong ^[6]; Cobden, David H. ^[2]

Univ. of Warwick, Coventry (United Kingdom). Dept. of Physics
Univ. of Washington, Seattle, WA (United States). Dept. of Physics
Univ. of Cambridge (United Kingdom). Cavendish Lab.
Elettra-Sincrotrone Trieste S.C.p.A., Trieste (Italy)
Elettra-Sincrotrone Trieste S.C.p.A., Trieste (Italy); Univ. of Trieste (Italy). Physics Dept.
Univ. of Washington, Seattle, WA (United States). Dept. of Physics; Univ. of Washington, Seattle, WA (United States). Dept. of Materials Science and Engineering

Combining monolayers of different two-dimensional semiconductors into heterostructures creates new phenomena and device possibilities. Understanding and exploiting these phenomena hinge on knowing the electronic structure and the properties of interlayer excitations. Here, 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. 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.

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Research Organization:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0002197; SC0008145; SC0012509

OSTI ID:: 1463890

Journal Information:: Science Advances, Vol. 3, Issue 2; ISSN 2375-2548

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 223 works

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Two-dimensional light-emitting materials: preparation, properties and applications Wang, Zhiwei; Jingjing, Qiu; Wang, Xiaoshan Chemical Society Reviews, Vol. 47, Issue 16 https://doi.org/10.1039/c8cs00332g	journal	January 2018
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Structural, electronic, and electromechanical properties of MoSSe/blue phosphorene heterobilayer Li, Xiaobao; Wang, Xiaotian; Hao, Weijie AIP Advances, Vol. 9, Issue 11 https://doi.org/10.1063/1.5122755	journal	November 2019
Stable monolayer of the RuO ₂ structure by the Peierls distortion Ersan, F.; Ozaydin, H. D.; Üzengi Aktürk, O. Philosophical Magazine, Vol. 99, Issue 3 https://doi.org/10.1080/14786435.2018.1538576	journal	October 2018
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Observation of intrinsic dark exciton in Janus-MoSSe heterosturcture induced by intrinsic electric field Long, Chen; Gong, Zhi-Rui; Jin, Hao Journal of Physics: Condensed Matter, Vol. 30, Issue 39 https://doi.org/10.1088/1361-648x/aadc32	journal	September 2018
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The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals Haastrup, Sten; Strange, Mikkel; Pandey, Mohnish 2D Materials, Vol. 5, Issue 4 https://doi.org/10.1088/2053-1583/aacfc1	journal	September 2018
Interlayer screening effects in WS ₂ /WSe ₂ van der Waals hetero-bilayer Kumar, Rajeev; Verzhbitskiy, Ivan; Giustiniano, Francesco 2D Materials, Vol. 5, Issue 4 https://doi.org/10.1088/2053-1583/aad255	journal	August 2018
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Modulated interlayer exciton properties in a two-dimensional moiré crystal Lu, Xiaobo; Li, Xiaoqin; Yang, Li Physical Review B, Vol. 100, Issue 15 https://doi.org/10.1103/physrevb.100.155416	journal	October 2019
Reconstruction of the ${Bi}_{2} {Sr}_{2} {CaCu}_{2} O_{8 + δ}$ Fermi surface Valla, T.; Pletikosić, I.; Drozdov, I. K. Physical Review B, Vol. 100, Issue 24 https://doi.org/10.1103/physrevb.100.241112	journal	December 2019
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Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures Kunstmann, Jens; Mooshammer, Fabian; Nagler, Philipp Universität Regensburg https://doi.org/10.5283/epub.37985	text	January 2018
Exciton broadening in WS2 /graphene heterostructures Hill, Heather M.; Rigosi, Albert F.; Raja, Archana Universität Regensburg https://doi.org/10.5283/epub.40515	text	January 2017
Strain-Mediated Stability of Structures and Electronic Properties of ReS ₂ , Janus ReSSe, and ReSe ₂ Monolayers Zong, Jia-Qi; Zhang, Shu-Feng; Ji, Wei-Xiao Journal of Nanomaterials, Vol. 2019 https://doi.org/10.1155/2019/9239487	journal	October 2019
Interlayer exciton dynamics in a dichalcogenide monolayer heterostructure Nagler, Philipp; Plechinger, Gerd; Ballottin, Mariana V. arXiv https://doi.org/10.48550/arxiv.1703.00379	text	January 2017
Environmentally-Sensitive Theory of Electronic and Optical Transitions in Atomically-Thin Semiconductors Cho, Yeongsu; Berkelbach, Timothy C. arXiv https://doi.org/10.48550/arxiv.1709.01094	text	January 2017
Brightened spin-triplet interlayer excitons and optical selection rules in van der Waals heterobilayers Yu, Hongyi; Liu, Gui-Bin; Yao, Wang arXiv https://doi.org/10.48550/arxiv.1803.01292	text	January 2018
Momentum-space indirect interlayer excitons in transition metal dichalcogenide van der Waals heterostructures Kunstmann, Jens; Mooshammer, Fabian; Nagler, Philipp arXiv https://doi.org/10.48550/arxiv.1803.04936	text	January 2018
Nanospot Angle-Resolved Photoemission Study of Bernal-Stacked Bilayer Graphene on Hexagonal Boron Nitride: Band Structure and Local Variation of Lattice Alignment Joucken, Frédéric; Quezada-López, Eberth A.; Avila, Jose arXiv https://doi.org/10.48550/arxiv.1904.11080	text	January 2019
Design of van der Waals Interfaces for Broad-Spectrum Optoelectronics Ubrig, Nicolas; Ponomarev, Evgeniy; Zultak, Johanna arXiv https://doi.org/10.48550/arxiv.1912.10345	text	January 2019
Angle-resolved photoemission spectroscopy and its application to topological materials Lv, Baiqing; Qian, Tian; Ding, Hong arXiv https://doi.org/10.48550/arxiv.2106.09797	text	January 2021
Ionic gate spectroscopy of 2D semiconductors Gutiérrez-Lezama, Ignacio; Ubrig, Nicolas; Ponomarev, Evgeniy Nature Reviews Physics, Vol. 3, Issue 7 https://doi.org/10.1038/s42254-021-00317-2	journal	May 2021
Opportunities in Electrically Tunable 2D Materials Beyond Graphene: Recent Progress and Future Outlook Vincent, Tom; Liang, Jiayun; Singh, Simrjit arXiv https://doi.org/10.48550/arxiv.2103.14194	text	January 2021

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