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]

Archive (ZIP) (Zip archive) 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)

Request Changes to record.

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
Divisions:	Faculty of Science > Physics
Type of Data:	Experimental data
Publisher:	Department of Physics
Official Date:	2 November 2020
Dates:	Date Event 2 November 2020 Created
Date of first compliant deposit:	18 November 2020
Status:	Not Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Open Access
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. Further information on individual data files can be found in the readme or data description file in the relevant sub-folder.
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID EP/M508184/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 EP/R513374/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 EP/P01139X/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 Chancellor's International PhD Scholarship University of Warwick http://dx.doi.org/10.13039/501100000741 EP/P022561/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 730872 [ERC] Horizon 2020 Framework Programme http://dx.doi.org/10.13039/100010661
Related URLs:	Related item in WRAP Other
Contributors:	Contribution Name Contributor ID Depositor Xia, Xue 76305

Request changes or add full text files to a record

Repository staff actions (login required)

View Item

Downloads