First-principles calculations of elasto-optical properties of RTe₃

2025/11/30 by Tang, Kuiqing
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el)

paper · doi:10.48550/arxiv.2512.00726

Abstract

Rare-earth tritellurides (RTe₃) 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 NdTe₃ to establish a quantitative framework for strain-induced optical anisotropy. These results establish a quantitative link between lattice strain and optical response in RTe₃, providing a predictive framework for probing symmetry-breaking states via elasto-birefringence.

Citations

• Uncovering the Hidden Ferroaxial Density Wave as the Origin of the Axial Higgs Mode in RTe₃

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