Correlation between electronic and structural orders in 1T−TiSe2

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.Received 17 June 2020Revised 19 February 2021Accepted 8 March 2021DOI:https://doi.org/10.1103/PhysRevResearch.3.L022003Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.Published by the American Physical SocietyPhysics Subject Headings (PhySH)Research AreasCharge density wavesCrystal symmetryElectrical conductivityStructural order parameterPhysical SystemsTransition-metal dichalcogenideTechniquesResonant elastic x-ray scatteringX-ray diffractionCondensed Matter & Materials Physics