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Correlation between electronic and structural orders in 1T-TiSe2

Hiroki Ueda1*, Michael Porer1, José Mardegan1, Sergii Parchenko1, Namrata Gurung2,3, Federica Fabrizi4, Mahesh Ramakrishnan1, Larissa Boie5, Martin Neugebauer5, Bulat Burganov5, Max Burian1, Steven Johnson5,6, Kai Rossnagel7,8, Urs Staub1*

1 Swiss Light Source, Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland

2 Laboratory for Multiscale Materials Experiments, Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland

3 Laboratory for Mesoscopic Systems, Department of Materials, ETH Zurich, 8093 Zurich, Switzerland

4 Diamond Light Source Ltd., Diamond House, Harwell Science & Innovation Campus, Didcot, Oxfordshire OX11 0DE, United Kingdom

5 Institute for Quantum Electronics, Physics Department, ETH Zurich, 8093 Zurich, Switzerland

6 Laboratory for Non-linear Optics, Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland

7 Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, 24098 Kiel, Germany

8 Ruprecht-Haensel-Labor, Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany

* Corresponding authors emails: hiroki.ueda@psi.ch, urs.staub@psi.ch
DOI10.24435/materialscloud:60-01 [version v1]

Publication date: Mar 26, 2021

How to cite this record

Hiroki Ueda, Michael Porer, José Mardegan, Sergii Parchenko, Namrata Gurung, Federica Fabrizi, Mahesh Ramakrishnan, Larissa Boie, Martin Neugebauer, Bulat Burganov, Max Burian, Steven Johnson, Kai Rossnagel, Urs Staub, Correlation between electronic and structural orders in 1T-TiSe2, Materials Cloud Archive 2021.48 (2021), doi: 10.24435/materialscloud:60-01.


The correlation between electronic and crystal structures of 1T -TiSe2 in the charge-density wave (CDW) state is studied by x-ray diffraction in order to clarify basic properties in the CDW state, transport properties, and chirality. Three families of reflections are used to probe atomic displacements and the orbital asymmetry in Se. Two distinct onset temperatures are found: TCDW and a lower T∗ indicative for an onset of Se out-of-plane atomic displacements. T∗ coincides with a DC resistivity maximum and the onset of the proposed gyrotropic (chiral) electronic structure. However, no indication for chirality is found. The relation between the atomic displacements and the transport properties is discussed in terms of Ti 3d and Se 4p states that only weakly couple to the CDW order.

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TiSe2 Charge density wave Crystal symmetry Electrical conductivity Structural order parameter Transition-metal dichalcogenide Resonant elastic x-ray scattering X-ray diffraction MARVEL Paul Scherrer Institute SNSF Experimental

Version history:

2021.48 (version v1) [This version] Mar 26, 2021 DOI10.24435/materialscloud:60-01