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{
"metadata": {
"edited_by": 576,
"owner": 95,
"_oai": {
"id": "oai:materialscloud.org:1859"
},
"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<sub>d</sub> from 230 K to 270 K. Magnetoresistance and longitudinal elastoresistance show significantly increased values in the T<sub>d</sub>-phase.\nThis dataset contains the raw data discussed in the manuscript with the same title.",
"mcid": "2024.95",
"id": "1859",
"license": "Creative Commons Attribution 4.0 International",
"license_addendum": null,
"references": [
{
"citation": "O. Fedchenko, F.K. Diekmann, P. R\u00fc\u00dfmann, M. Kallmayer, L. Odenbreit, S.M. Souliou, M. Frachet, A. Winkelmann, M. Merz, D. Vasilyev, D. Kutnyakhov, S. Chernov, C. Schlueter, A. Gloskovskii, T.R.F. Peixoto, M. Hoesch, O. Tkach, Ya. Lytvynenko, M. Le Tacon, Y. Mokrousov, K. Ro\u00dfnagel, G. Sch\u00f6nhense, H.-J. Elmers, arXiv:2310.10593\n (2023)",
"type": "Preprint",
"comment": "Paper where the data is discussed",
"doi": "10.48550/arXiv.2310.10593"
},
{
"citation": "The JuKKR developers, JuDFTteam/JuKKR: v3.6 (v3.6), Zenodo. (2022)",
"type": "Software",
"comment": "Source code of the JuKKR code",
"doi": "10.5281/zenodo.7284739"
},
{
"citation": "P. R\u00fc\u00dfmann, F. Bertoldo, J. Br\u00f6der, J. Wasmer, R. Mozumder, J. Chico, and S. Bl\u00fcgel, Zenodo (2021)",
"type": "Software",
"comment": "Source code for the AiiDA-KKR plugin",
"doi": "10.5281/zenodo.3628251"
},
{
"citation": "P. R\u00fc\u00dfmann, F. Bertoldo, and S. Bl\u00fcgel, The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator. npj Comput Mater 7, 13 (2021)",
"type": "Journal reference",
"comment": "AiiDA-KKR method paper",
"doi": "10.1038/s41524-020-00482-5"
}
],
"doi": "10.24435/materialscloud:ks-0h",
"keywords": [
"DFT",
"KKR",
"CPA",
"TMDC",
"Weyl semimetal",
"alloy"
],
"contributors": [
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Fedchenko",
"givennames": "O."
},
{
"affiliations": [
"Institute for Experimental and Applied Physics, Christian-Albrechts-Universit\u00e4t Kiel, Germany"
],
"familyname": "Diekmann",
"givennames": "F. K."
},
{
"affiliations": [
"Institute of Theoretical Physics and Astrophysics, University of W\u00fcrzburg, D-97074, Germany",
"Peter Gr\u00fcnberg Institut and Institute for Advanced Simulation (PGI-1/IAS-1), Forschungszentrum J\u00fclich and JARA, D-52425 J\u00fclich"
],
"familyname": "R\u00fc\u00dfmann",
"email": "p.ruessmann@fz-juelich.de",
"givennames": "P."
},
{
"affiliations": [
"Surface Concept GmbH, Mainz, Germany"
],
"familyname": "Kallmayer",
"givennames": "M."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Odenbreit",
"givennames": "L."
},
{
"affiliations": [
"Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany"
],
"familyname": "Souliou",
"givennames": "S. M."
},
{
"affiliations": [
"Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany"
],
"familyname": "Frachet",
"givennames": "M."
},
{
"affiliations": [
"Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Krak\u00f3w, Poland"
],
"familyname": "Winkelmann",
"givennames": "A."
},
{
"affiliations": [
"Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany"
],
"familyname": "Merz",
"givennames": "M."
},
{
"affiliations": [
"Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany",
"Department of Physics and Astronomy, Stony Brook University, Stony Brook, USA"
],
"familyname": "Chernov",
"givennames": "S."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Vasilyev",
"givennames": "D."
},
{
"affiliations": [
"Deutsches Elektronen-Synchrotron, Center for Free-Electron Laser Science, Hamburg, Germany"
],
"familyname": "Kutnyakhov",
"givennames": "D."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Tkach",
"givennames": "O."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany",
"Institute of Magnetism of the NAS of Ukraine and MES of Ukraine, 03142 Kyiv, Ukraine"
],
"familyname": "Lytvynenko",
"givennames": "Ya."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Medjanik",
"givennames": "K."
},
{
"affiliations": [
"Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany"
],
"familyname": "Schlueter",
"givennames": "C."
},
{
"affiliations": [
"Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany"
],
"familyname": "Gloskovskii",
"givennames": "A."
},
{
"affiliations": [
"Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany"
],
"familyname": "Peixoto",
"givennames": "T. R. F."
},
{
"affiliations": [
"Deutsches Elektronen-Synchrotron, DESY, Hamburg, Germany"
],
"familyname": "Hoesch",
"givennames": "M."
},
{
"affiliations": [
"Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany"
],
"familyname": "Le Tacon",
"givennames": "M."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany",
"Peter Gr\u00fcnberg Institut and Institute for Advanced Simulation (PGI-1/IAS-1), Forschungszentrum J\u00fclich and JARA, D-52425 J\u00fclich"
],
"familyname": "Mokrousov",
"givennames": "Y."
},
{
"affiliations": [
"Institute for Experimental and Applied Physics, Christian-Albrechts-Universit\u00e4t Kiel, Germany",
"Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg,\nGermany"
],
"familyname": "Ro\u00dfnagel",
"givennames": "K."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Sch\u00f6nhense",
"givennames": "G."
},
{
"affiliations": [
"Institut f\u00fcr Physik, Johannes Gutenberg-Universit\u00e4t Mainz, Germany"
],
"familyname": "Elmers",
"givennames": "H.-J."
}
],
"conceptrecid": "1858",
"version": 1,
"publication_date": "Jun 24, 2024, 16:40:38",
"is_last": true,
"status": "published",
"_files": [
{
"size": 748,
"checksum": "md5:25043f0448b109a31797c5dd98d655ab",
"description": "Description of the dataset",
"key": "README.txt"
},
{
"size": 227003590,
"checksum": "md5:5bd4a8f159602c3847cb3b11497c38c7",
"description": "AiiDA export file for the DFT data of this work",
"key": "export_MoWTe2.aiida"
}
],
"title": "Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo<sub>1-x</sub>W<sub>x</sub>Te<sub>2</sub>"
},
"id": "1859",
"updated": "2024-06-24T14:40:38.861857+00:00",
"created": "2023-08-11T13:08:50.068901+00:00",
"revision": 8
}