Ferroelectricity is typically suppressed under hydrostatic compression because the short-range repulsions, which favor the nonpolar phase, increase more rapidly than the long-range interactions, which prefer the ferroelectric phase. Here, based on single-crystal X-ray diffraction and density-functional theory, we provide evidence of a ferroelectric-like transition from phase
Mono- and disubstitution reactions of gyroscope like complexes derived from Cl Pt Cl rotators within cage like dibridgehead diphosphine ligands
- Award ID(s):
- 1153085
- PAR ID:
- 10163878
- Date Published:
- Journal Name:
- Journal of Organometallic Chemistry
- Volume:
- 821
- Issue:
- C
- ISSN:
- 0022-328X
- Page Range / eLocation ID:
- 136 to 141
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
Abstract I 213 toR 3 induced by pressure in two isostructural defect antiperovskites Hg3Te2Cl2(15.5 GPa) and Hg3Te2Br2(17.5 GPa). First-principles calculations show that this transition is attributed to pressure-induced softening of the infrared phonon mode Γ4, similar to the archetypal ferroelectric material BaTiO3at ambient pressure. Additionally, we observe a gradual band-gap closing from ~2.5 eV to metallic-like state of Hg3Te2Br2with an unexpectedly stableR 3 phase even after semiconductor-to-metal transition. This study demonstrates the possibility of emergence of polar metal under pressure in this class of materials and establishes the possibility of pressure-induced ferroelectric-like transition in perovskite-related systems.