Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2

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O. Fedchenko; F. K. Diekmann; Rüßmann, Philipp; 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, 2024, "Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2", https://doi.org/10.26165/JUELICH-DATA/VIPMIY, Jülich DATA, V1

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Description	A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 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 Td-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 Td from 230 K to 270 K. Magnetoresistance and longitudinal elastoresistance show significantly increased values in the Td-phase. This dataset contains the raw data discussed in the manuscript with the same title.
Subject	Physics
Keyword	DFT, KKR, CPA, TMDC, Weyl semimetal, topological matter, alloy
Related Publication	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 Mo1-xWxTe2, Materials Cloud Archive 2024.95 (2024) doi: 10.24435/materialscloud:ks-0h
Institute	PGI-1


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Dataset Persistent ID	doi:10.26165/JUELICH-DATA/VIPMIY
Publication Date	2024-07-04
Title	Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2
Author	O. Fedchenko (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany) F. K. Diekmann (Institute for Experimental and Applied Physics, Christian-Albrechts-Universität Kiel, Germany) Rüßmann, Philipp (PGI-1 / IAS-1) - ORCID: 0000-0002-6196-2700 M. Kallmayer (Surface Concept GmbH, Mainz, Germany) L. Odenbreit (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany) S. M. Souliou (Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany) M. Frachet (Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany) A. Winkelmann (Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Kraków, Poland) M. Merz (Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany) S. Chernov (Department of Physics and Astronomy, Stony Brook University, Stony Brook, USA and Deutsches Elektronen-Synchrotron, Center for Free-Electron Laser Science, Hamburg, Germany) D. Vasilyev (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany) D. Kutnyakhov (Deutsches Elektronen-Synchrotron, Center for Free-Electron Laser Science, Hamburg, Germany) O. Tkach (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany) Ya. Lytvynenko (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany and Institute of Magnetism of the NAS of Ukraine and MES of Ukraine, 03142 Kyiv, Ukraine) K. Medjanik (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany) C. Schlueter (Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany) A. Gloskovskii (Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany) T. R. F. Peixoto (Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany) M. Hoesch (Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany) M. Le Tacon (Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany) Y. Mokrousov (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany and PGI-1) K. Roßnagel (Institute for Experimental and Applied Physics, Christian-Albrechts-Universität Kiel, Germany and Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany) G. Schönhense (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany) H.-J. Elmers (Institut für Physik, Johannes Gutenberg-Universität Mainz, Germany)
Contact	Use email button above to contact. Rüßmann, Philipp (PGI-1 / IAS-1)
Description	A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 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 Td-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 Td from 230 K to 270 K. Magnetoresistance and longitudinal elastoresistance show significantly increased values in the Td-phase. This dataset contains the raw data discussed in the manuscript with the same title.
Subject	Physics
Keyword	DFT KKR CPA TMDC Weyl semimetal topological matter alloy
Related Publication	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 Mo1-xWxTe2, Materials Cloud Archive 2024.95 (2024) doi: 10.24435/materialscloud:ks-0h https://doi.org/10.24435/materialscloud:ks-0h
Depositor	Rüßmann, Philipp
Deposit Date	2024-07-04

FZJ Metadata

Institute	PGI-1
PoF IV topic	Topological Matter (POF4-5211)

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