Studies of non-trivial band topology and electron-hole compensation in YSb

TL;DR

This study uses first-principles calculations to explore how hydrostatic pressure induces a topological phase transition in YSb, revealing complex relationships between topology, electron-hole balance, and magnetoresistance.

Contribution

It demonstrates that YSb undergoes a reentrant topological phase transition under pressure, challenging the assumption that perfect electron-hole compensation is necessary for large magnetoresistance.

Findings

YSb transitions from trivial to non-trivial topological phase under pressure

Non-trivial topological phase appears without perfect electron-hole compensation

Pressure increases electron to hole density ratio in YSb

Abstract

In this article, we study non-trivial topological phase and electron-hole compensation in extremely large magnetoresistance (XMR) material YSb under hydrostatic pressure using first-principles calculations. YSb is topologically trivial at ambient pressure, but undergoes a reentrant topological phase transition under hydrostatic pressure. The reentrant behavior of topological quantum phase is then studied as a function of charge density ratio under pressure. From the detailed investigation of Fermi surfaces, it is found that electron to hole densities ratio increases with pressure, however a non-trivial topological phase appears without perfect electron-hole compensation. The results indicate that the non-trivial topological phase under hydrostatic pressure may not have maximal influence on the magnetoresistance, and need further investigations through experiments to determine the exact relationship between topology and XMR effect.