English

SrCu$_2$(BO$_3$)$_2$ under pressure: a first-principle study

Strongly Correlated Electrons 2020-06-22 v2 Materials Science

Abstract

Using density-functional theory (DFT) band-structure calculations, we study the crystal structure, the lattice dynamics, and the magnetic interactions in the Shastry-Sutherland magnet SrCu2_2(BO3_3)2_2 under pressure, concentrating on experimentally relevant pressures up to 4 GPa. All tendencies inside the candidate intermediate phases are thoroughly worked out, including specific predictions for some Raman active phonon modes that could be used to pin down the nature of the intermediate phase.

Keywords

Cite

@article{arxiv.2003.01212,
  title  = {SrCu$_2$(BO$_3$)$_2$ under pressure: a first-principle study},
  author = {Danis I. Badrtdinov and Alexander A. Tsirlin and Vladimir V. Mazurenko and Frédéric Mila},
  journal= {arXiv preprint arXiv:2003.01212},
  year   = {2020}
}

Comments

11 pages, 11 figures

R2 v1 2026-06-23T14:01:13.648Z