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Data for Atomic and electronic structure of two-dimensional Mo(1-x)WxS2 alloys
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Xia, Xue, Loh, Siow Mean, Viner, Jacob, Teutsch, Natalie C., Graham, Abigail J., Kandyba, Viktor, Barinov, Alexei, Sánchez, Ana M., Smith, David C., Hine, Nicholas D. M. and Wilson, Neil R. (2020) Data for Atomic and electronic structure of two-dimensional Mo(1-x)WxS2 alloys. [Dataset]
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Dataset for atomic and electronic structure of 2D Mo1-xWxS2 alloys(1).zip - Published Version Available under License Creative Commons Attribution 4.0. Download (164Mb) |
Abstract
Alloying enables engineering of the electronic structure of semiconductors for optoelectronic applications. Due to their similar lattice parameters, the two-dimensional semiconducting transition metal dichalcogenides of the MoWSeS group (MX2 where M= Mo or W and X=S or Se) can be grown as high-quality materials with low defect concentrations. Here we investigate the atomic and electronic structure of Mo(1-x)WxS2 alloys using a combination of high-resolution experimental techniques and simulations. Analysis of the Mo and W atomic positions in these alloys, grown by chemical vapour transport, shows that they are randomly distributed, consistent with Monte Carlo simulations that use interaction energies determined from first-principles calculations. Electronic structure parameters are directly determined from angle resolved photoemission spectroscopy measurements. These show that the spinorbit splitting at the valence band edge increases linearly with W content from MoS2 to WS2, in agreement with linear-scaling density functional theory (LS-DFT) predictions. The spinorbit splitting at the conduction band edge is predicted to reduce to zero at intermediate compositions. Despite this, polarisation-resolved photoluminescence spectra on monolayer Mo0.5W0.5S2 show significant circular dichroism, indicating that spin-valley locking is retained. These results demonstrate that alloying is an important tool for controlling the electronic structure of MX2 for spintronic and valleytronic applications.
Item Type: | Dataset | |||||||||||||||||||||
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Subjects: | Q Science > QC Physics T Technology > TK Electrical engineering. Electronics Nuclear engineering T Technology > TN Mining engineering. Metallurgy |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | |||||||||||||||||||||
Type of Data: | Experimental data | |||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Molybdenum alloys, Semiconductors, Electronic structure, Atomic structure | |||||||||||||||||||||
Publisher: | University of Warwick, Department of Physics | |||||||||||||||||||||
Official Date: | 2 November 2020 | |||||||||||||||||||||
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Status: | Not Peer Reviewed | |||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||
Media of Output (format): | .docx .pdf .xyz .dm4 .jpg .txt .csv | |||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||
Copyright Holders: | University of Warwick | |||||||||||||||||||||
Description: | Data record consists of a zip archive containing 3 subfolders, organised according to data contained, separate accompanying readme or data description files are contained within each of the subfolders. |
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Date of first compliant deposit: | 18 November 2020 | |||||||||||||||||||||
Date of first compliant Open Access: | 18 November 2020 | |||||||||||||||||||||
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