English

Structural stability of CuAl$_{2}$O$_{4}$ under pressure

Strongly Correlated Electrons 2020-11-10 v1

Abstract

Structural properties of CuAl2_{2}O4_{4}, which was recently argued to show unusual suppression of the Jahn-Teller distortions by the spin-orbit coupling, are investigated under pressures up to 6 GPa. Analysis of X-ray powder diffraction experiments shows that CuAl2_{2}O4_{4} gets unstable and decomposes onto CuO and Al2_{2}O3_{3} at pressures \sim 6 GPa and temperature \sim 1000 K. This finding is complemented by the DFT+U+SOC calculations, which demonstrate that this instability is partially driven by a (relatively) large compressibility of strongly Jahn-Teller distorted CuO.

Keywords

Cite

@article{arxiv.2010.02640,
  title  = {Structural stability of CuAl$_{2}$O$_{4}$ under pressure},
  author = {P. A. Agzamova and A. A. Belik and S. V. Streltsov},
  journal= {arXiv preprint arXiv:2010.02640},
  year   = {2020}
}

Comments

6 pages, 6 figures, 2 tables

R2 v1 2026-06-23T19:04:58.481Z