[en] Ferroic materials naturally exhibit a rich number of functionalities, which often arise from thermally, chemically, or mechanically induced symmetry breakings or phase transitions. Based on density functional calculations, we demonstrate here that light can drive phase transitions as well in ferroelectric materials such as the perovskite oxides lead titanate and barium titanate. Phonon analysis and total energy calculations reveal that the polarization tends to vanish under illumination, to favor the emergence of nonpolar phases, potentially antiferroelectric, and exhibiting a tilt of the oxygen octahedra. Strategies to tailor photoinduced phases based on phonon instabilities in the electronic ground state are also discussed.
Author, co-author :
Paillard, Charles; Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
Torun, Engin ; University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Wirtz, Ludger ; University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Iniguez, Jorge; Univ Luxembourg, Phys & Mat Sci Res Unit, 162a Ave Faiencerie, L-1511 Luxembourg, Luxembourg.
Bellaiche, Laurent; Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
External co-authors :
Photoinduced Phase Transitions in Ferroelectrics
Publication date :
Journal title :
PHYSICAL REVIEW LETTERS
Amer Physical Soc, College Pk, Unknown/unspecified
Peer reviewed :
Focus Area :
Physics and Materials Science
FnR Project :
FNR7490149 - 20 Electric Transport And Superconductivity In Transition Metal Dichalcogenides Nanolayers, 2013 (01/02/2014-31/01/2019) - Ludger Wirtz
ARO [W911NF-16-1-0227] National Research Fund, LuxembourgLuxembourg National Research Fund [INTER/ANR/13/20/NANOTMD, INTER/ANR/16/11562984/EXPAND, 15/9890527/GREENOX]
C. P. and L. B. thank the ARO Grant No. W911NF-16-1-0227. We also acknowledge support from the National Research Fund, Luxembourg through Project No. INTER/ANR/13/20/NANOTMD (E. T. and L. W.); Project No. INTER/ANR/16/11562984/EXPAND (J. I.) and the inter-mobility program (Grant No. 15/9890527/GREENOX, J. I. and L. B.). C. P. thanks the AHPCC and a DoD challenge grant for use of computing resources. We thank B. Dkhil and P. Ruello for interesting discussions.