Correlation between electronic and structural orders in 1T-TiSe2

TL;DR

This study investigates the interplay between electronic and structural orders in 1T-TiSe2's charge density wave state using x-ray diffraction, revealing distinct transition temperatures and their relation to electronic and atomic displacements.

Contribution

It provides new insights into the correlation between atomic displacements and electronic structure in 1T-TiSe2, identifying two separate onset temperatures and their implications.

Findings

Two distinct onset temperatures TCDW and T* identified.

T* coincides with resistivity maximum and electronic structure changes.

No evidence of chirality was observed.

Abstract

The correlation between electronic and crystal structures of 1T-TiSe2 in the charge density wave (CDW) state is studied by x-ray diffraction. 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 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.