Pressure induced ferromagnetic to antiferromagnetic phase transition in transition metal chalcogenide Cr$_{3}$Te$_4$

TL;DR

This study investigates how high pressure induces a transition from ferromagnetic to antiferromagnetic order in Cr$_{3}$Te$_4$, combining experimental Raman and XRD data with DFT calculations to reveal structural and magnetic changes.

Contribution

The paper provides the first detailed high-pressure analysis of Cr$_{3}$Te$_4$, demonstrating a pressure-induced magnetic phase transition supported by both experimental and theoretical evidence.

Findings

Monoclinic structure remains stable up to 30 GPa

Cr-Te bond length decreases significantly up to 7.6 GPa

Magnetic transition from ferromagnetic to antiferromagnetic occurs above 7.6 GPa

Abstract

We have carried out a detailed high-pressure investigation on the strongly correlated transition metal chalcogenide $Cr_{3}Te_4$ using Raman spectroscopy and XRD, which is ferromagnetic and metallic at ambient conditions. We find that the monoclinic structure remains stable up to 30 GPa, the highest pressure studied. The Cr-Te bond length and octahedral volume decrease drastically up to 7.6 GPa pressure. The $A_{1g}$ Raman mode shows a red shift up to 7.6 GPa, and the $E_g$ Raman mode shows a sudden drop around the same pressure. Further low-temperature Raman spectroscopic investigation shows that the Raman modes soften at the ferromagnetic to antiferromagnetic phase transition. This suggests a change in the magnetic ordering at high pressure. Our Density Functional Theory (DFT) calculations reveal the change in magnetic ground state from ferromagnetic state to antiferromagnetic state above 7.6 GPa pressure, corroborating our experimental result.