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Title: 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.  more » « less
Award ID(s):
1719875
PAR ID:
10325379
Author(s) / Creator(s):
; ;
Date Published:
Journal Name:
Journal of Physics: Condensed Matter
Volume:
34
Issue:
3
ISSN:
0953-8984
Page Range / eLocation ID:
035402
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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