First-principles calculations of elasto-optical properties of $R$Te$_3$

TL;DR

This paper uses first-principles calculations to quantify how strain affects the optical properties of rare-earth tritellurides, aiding the interpretation of elasto-optical experiments in these complex materials.

Contribution

It provides the first detailed theoretical analysis linking lattice strain to optical anisotropy in $R$Te$_3$, enabling better experimental probing of symmetry-breaking phases.

Findings

Calculated elastic, dielectric, and piezo-optical tensors for NdTe$_3$

Established a quantitative relationship between strain and optical response

Provided a predictive framework for elasto-birefringence in $R$Te$_3$

Abstract

Rare-earth tritellurides ($R$Te$_3$) exhibit complex charge-density-wave (CDW) phases intertwined with lattice symmetry, offering a platform to explore unconventional symmetry breaking in correlated materials. Elasto-optical probing, which detects strain-induced changes in birefringence, provides a non-invasive approach to visualize anisotropy and emergent order in these quasi-two-dimensional systems. However, the magnitude and symmetry of the expected optical response remain poorly quantified, hindering experimental interpretation. Here, we perform first-principles calculations of the elastic, dielectric, and piezo-optical tensors of NdTe$_3$ to establish a quantitative framework for strain-induced optical anisotropy. These results establish a quantitative link between lattice strain and optical response in $R$Te$_3$, providing a predictive framework for probing symmetry-breaking states via elasto-birefringence.