Zeeman-splitting-induced Topological Nodal Structure and Anomalous Hall Conductivity in ZrTe$_5$

TL;DR

This paper explores how Zeeman splitting influences the topological nodal structures and anomalous Hall conductivity in 3D ZrTe$_5$, revealing new types of nodal rings and Weyl nodes depending on magnetic field orientation.

Contribution

It introduces a Wannier-function-based tight-binding model to analyze Zeeman-driven topological phase transitions and anomalous Hall effects in ZrTe$_5$, highlighting limitations of linearized models.

Findings

Type-I nodal rings form when B aligns with a or b axes.

Type-II nodal rings and Weyl nodes appear with B along c axis.

Significant anomalous Hall conductivity arises from Berry curvature and avoided crossings.

Abstract

We investigate the topological nodal structure of three-dimensional (3D) ZrTe$_5$ driven by Zeeman splitting as a function of the direction of external magnetic (B) field by using a Wannier-function-based tight-binding (WFTB) model obtained from first-principles calculations. It is known that small external stimuli can drive 3D ZrTe$_5$ into different topological phases including Dirac semimetal. In order to emphasize the effect of Zeeman splitting, we consider 3D ZrTe$_5$ in a strong TI phase with a small band gap. With Zeeman splitting greater than the band gap, the WFTB model suggests that a type-I nodal ring protected by (glide) mirror symmetry is formed when the B field aligns with the crystal $a$ or $b$ axes, and that a pair of type-I Weyl nodes are formed otherwise, when conduction and valence bands touch. We show that a pair of Weyl nodes can disappear through formation of a nodal ring, rather than requiring two Weyl nodes with opposite chirality to come together. Interestingly, a type-II nodal ring appears from crossings of the top two valence bands when the B field is applied along the $c$ axis. This nodal ring gaps out to form type-II Weyl nodes when the B field rotates in the $bc$ plane. Comparing the WFTB and linearized $k \cdot p$ model, we find inadequacy of the latter at some B field directions. Further, using the WFTB model, we numerically compute the intrinsic anomalous Hall conductivity ${\sigma_{ac}}$ induced by Berry curvature as a function of chemical potential and B field direction. We find that ${\sigma_{ac}}$ increases abruptly when the B field is tilted from the $a$ axis within the $ab$ plane. Our WFTB model also shows significant anomalous Hall conductivity induced by avoided level crossings even in the absence of Weyl nodes.