Vibrational properties of CuInP2S6 across the ferroelectric transition

Neal, Sabine N.; Singh, Sobhit; Fang, Xiaochen; Won, Choongjae; Huang, Fei-ting; Cheong, Sang-Wook; Rabe, Karin M.; Vanderbilt, David; Musfeldt, Janice L.

doi:10.1103/physrevb.105.075151

Vibrational properties of CuInP2 S6 across the ferroelectric transition

Journal Article · Sun Feb 27 23:00:00 EST 2022 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.105.075151· OSTI ID:1865798

^[1]; ^[2]; ^[2]; ^[3]; Huang, Fei-ting ^[2]; ^[4]; Rabe, Karin M. ^[2]; ^[2]; ^[5]

Univ. of Tennessee, Knoxville, TN (United States); University of Tennessee
Rutgers Univ., Piscataway, NJ (United States)
Pohang Univ. of Science and Technology (Korea)
Rutgers Univ., Piscataway, NJ (United States); Pohang Univ. of Science and Technology (Korea)
Univ. of Tennessee, Knoxville, TN (United States)

In order to explore the properties of a two-sublattice ferroelectric, we measured the infrared and Raman scattering response of CuInP₂S₆ across the ferroelectric and glassy transitions and compared our findings to a symmetry analysis, calculations of phase stability, and lattice dynamics. In addition to uncovering displacive character and a large hysteresis region surrounding the ferroelectric transition temperature T_C, we identify the vibrational modes that stabilize the polar phase and confirm the presence of two ferroelectric variants with opposite polarizations. Below T_C, a poorly understood relaxational or glassy transition at T_g is characterized by local structure changes in the form of subtle peak shifting and activation of low frequency out-of-plane Cu- and In-containing modes. Here, the latter are due to changes in the Cu/In coordination environments and associated order-disorder processes. Moreover, T_g takes place in two steps with another large hysteresis region and significant underlying scattering. Combined with imaging of the room temperature phase separation, this effort lays the groundwork for studying CuInP₂S₆ under external stimuli and in the ultrathin limit.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; NSF-DMREF; ONR; National Research Foundation of Korea; Ministry of Science and ICT

Grant/Contract Number:: FG02-01ER45885; SC0020353

OSTI ID:: 1865798

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 7 Vol. 105; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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