A Strategy to Identify Materials Exhibiting a Large Nonlinear Phononics Response: Tuning the Ultrafast Structural Response of LaAlO${}_3$ with Pressure

Abstract

We use theory and first-principles calculations to investigate how structural changes induced by ultrafast optical excitation of infrared-active phonons change with hydrostatic pressure in LaAlO${}_3$. Our calculations show that the observed structural changes are sensitive to pressure, with the largest changes occurring at pressures near the boundary between the cubic perovskite and rhombohedral phases. We rationalize our findings by defining a figure of merit that depends only on intrinsic materials quantities, and show that the peak response near the phase boundary is dictated by different microscopic materials properties depending on the particular phonon mode being excited. Our work demonstrates how it is possible to systematically identify materials that may exhibit particularly large changes in structure and properties due to optical excitation of infrared-active phonons.

arXiv comment9 pages, 7 figures

References in corpus (17)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Phonons and related properties of extended systems from density-functional perturbation theory
• Nonlinear phononics: A new ultrafast route to lattice control
• Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa2Cu3O6.5
• Metastable ferroelectricity in optically strained $SrTi{O}_3$
• Ultrafast reversal of the ferroelectric polarization
• Theory of nonlinear phononics for coherent light-control of solids
• Light-driven ultrafast phonomagnetism
• Ultrafast phononic switching of magnetization
• Ultrafast Structure Switching through Nonlinear Phononics
• Proposal for ultrafast switching of ferroelectrics using mid-infrared pulses
• Effects of intense optical phonon pumping on the structure and electronic properties of yttrium barium copper oxide
• Breaking Symmetry with Light: Ultra-Fast Ferroelectricity and Magnetism from Three-Phonon Coupling
• Tunable shear strain from resonantly driven optical phonons
• Comparison of coherent phonon generation by electronic and ionic Raman scattering in LaAlO${}_3$
• Structural investigation of LaAlO3 up to 63 GPa

Cited by in corpus (1)

• Light-induced translation symmetry breaking via nonlinear phononics