O. Fedchenko¹, F. K. Diekmann², P. Rüßmann^3,4*, M. Kallmayer⁵, L. Odenbreit¹, S. M. Souliou⁶, M. Frachet⁶, A. Winkelmann⁷, M. Merz⁶, S. Chernov^8,9, D. Vasilyev¹, D. Kutnyakhov¹⁰, O. Tkach¹, Ya. Lytvynenko^1,11, K. Medjanik¹, C. Schlueter⁸, A. Gloskovskii⁸, T. R. F. Peixoto⁸, M. Hoesch⁸, M. Le Tacon⁶, Y. Mokrousov^1,4, K. Roßnagel^2,12, G. Schönhense¹, H.-J. Elmers¹

1 Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany

2 Institute for Experimental and Applied Physics, Christian-Albrechts-Universität Kiel, Germany

3 Institute of Theoretical Physics and Astrophysics, University of Würzburg, D-97074, Germany

4 Peter Grünberg Institut and Institute for Advanced Simulation (PGI-1/IAS-1), Forschungszentrum Jülich and JARA, D-52425 Jülich

5 Surface Concept GmbH, Mainz, Germany

6 Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany

7 Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Kraków, Poland

8 Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany

9 Department of Physics and Astronomy, Stony Brook University, Stony Brook, USA

10 Deutsches Elektronen-Synchrotron, Center for Free-Electron Laser Science, Hamburg, Germany

11 Institute of Magnetism of the NAS of Ukraine and MES of Ukraine, 03142 Kyiv, Ukraine

12 Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany

* Corresponding authors emails: p.ruessmann@fz-juelich.de

DOI10.24435/materialscloud:ks-0h [version v1]

Publication date: Jun 24, 2024

How to cite this record

O. Fedchenko, F. K. Diekmann, P. Rüßmann, M. Kallmayer, L. Odenbreit, S. M. Souliou, M. Frachet, A. Winkelmann, M. Merz, S. Chernov, D. Vasilyev, D. Kutnyakhov, O. Tkach, Ya. Lytvynenko, K. Medjanik, C. Schlueter, A. Gloskovskii, T. R. F. Peixoto, M. Hoesch, M. Le Tacon, Y. Mokrousov, K. Roßnagel, G. Schönhense, H.-J. Elmers, Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo_1-xW_xTe₂, Materials Cloud Archive 2024.95 (2024), https://doi.org/10.24435/materialscloud:ks-0h

Description

A comprehensive study of the electronic and structural phase transition from 1T` to T<sub>d</sub> in the bulk Weyl semimetal Mo<sub>1-x</sub>W<sub>x</sub>Te<sub>2</sub> at different doping concentrations has been carried out using time-of-flight momentum microscopy (including circular and linear dichroism), X-ray photoelectron spectroscopy, X-ray photoelectron diffraction, X-ray diffraction (XRD), angle-resolved Raman spectroscopy, transport measurements (including longitudinal elastoresistance), density functional theory (DFT) and Kikuchi pattern calculations. High-resolution, angle-resolved photoemission spectroscopy at 20 K reveals surface electronic states, which are indicative for topological Fermi arcs. Their dispersion agrees with the position of Weyl points predicted by DFT calculations based on the precise crystal structure of our samples obtained from XRD measurements. Raman spectroscopy confirms the inversion symmetry breaking for the T<sub>d</sub>-phase, which is a necessary condition for the emergence of topological states. Transport measurements show that increasing the doping concentration from 2 to 9 % leads to an increase in the temperature of the phase transition from 1T` to T_d from 230 K to 270 K. Magnetoresistance and longitudinal elastoresistance show significantly increased values in the T_d-phase. This dataset contains the raw data discussed in the manuscript with the same title.

Materials Cloud sections using this data

Files

File name	Size	Description
README.txt MD5md5:25043f0448b109a31797c5dd98d655ab	748 Bytes	Description of the dataset
export_MoWTe2.aiida MD5md5:5bd4a8f159602c3847cb3b11497c38c7 Open this AiiDA archive on renkulab.io (https://renkulab.io/)	216.5 MiB	AiiDA export file for the DFT data of this work

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

DFT KKR CPA TMDC Weyl semimetal alloy