Orbital- and $k_z$-selective hybridisation of Se 4p and Ti 3d states in the charge density wave phase of TiSe$_2$

TL;DR

This study uses photon energy-dependent ARPES to reveal how k_z-selective hybridisation of Se 4p and Ti 3d states drives the 2x2x2 charge density wave in TiSe2, highlighting the role of dimensional mismatch and residual states.

Contribution

It provides new insights into the three-dimensional electronic structure and momentum-dependent hybridisation mechanisms underlying the CDW in TiSe2.

Findings

Hybridisation is strongly k_z-dependent.

Dimensional mismatch influences CDW formation.

Residual states dominate low-energy physics.

Abstract

We revisit the enduring problem of the $2\times{}2\times{}2$ charge density wave (CDW) order in TiSe$_2$, utilising photon energy-dependent angle-resolved photoemission spectroscopy to probe the full three-dimensional high- and low-temperature electronic structure. Our measurements demonstrate how a mismatch of dimensionality between the 3D conduction bands and the quasi-2D valence bands in this system leads to a hybridisation that is strongly $k_z$-dependent. While such a momentum-selective coupling can provide the energy gain required to form the CDW, we show how additional "passenger" states remain, which couple only weakly to the CDW and thus dominate the low-energy physics in the ordered phase of TiSe$_2$.