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

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 SrCu${}_2$(BO${}_3$)${}_2$ 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.

11 pages, 11 figures

References in corpus (4)

• A Novel Ordered Phase in SrCu2(BO3)2 under High Pressure
• Antiferroelectric instability in kagome francisites Cu${}_3$Bi(SeO${}_3$)${}_2$O${}_2$X (X = Cl, Br)
• Emergence of One-Dimensional Physics from the Distorted Shastry-Sutherland Lattice
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Cited by in corpus (8)

• Phase diagram of the Shastry-Sutherland Compound SrCu2(BO3)2 under extreme combined conditions of field and pressure
• Certification of quantum states with hidden structure of their bitstrings
• Fractional magnetization plateaux of a spin-1/2 Heisenberg model on the Shastry-Sutherland lattice: effect of quantum XY interdimer coupling
• Ultrafast Frustration-Breaking and Magnetophononic Driving of Singlet Excitations in a Quantum Magnet
• Deconfined Quantum Critical Point: A Review of Progress
• Spin waves and three-dimensionality in the high-pressure antiferromagnetic phase of SrCu${}_2$(BO${}_3$)${}_2$
• Tensor network study of the Shastry-Sutherland model with weak interlayer coupling
• Anomalous thermal broadening in the Shastry-Sutherland model and SrCu${}_2($BO${}_3{)}_2$