High Pressure Behavior of Mercury Difluoride (HgF2)
Document Type
Article
Publication Date
3-21-2019
Publication Title
Chemical Physics Letters
Volume
724
First page number:
35
Last page number:
41
Abstract
The pressure-induced cubic → orthorhombic transition occurring in HgF2 was investigated via X-ray diffraction and density functional theory. The predicted, ambient cubic (Fm-3m) fluorite structure of HgF2, can be obtained using a high-pressure ramp purification process of HgF2 mixed with XeF2. Subsequently, the purified HgF2 underwent a phase transition from the fluorite to the orthorhombic cotunnite-type structure near 4.7 GPa, persisting to 63 GPa. An equation of state fit yielded a bulk modulus K0 of 94.4 GPa for the fluorite-type structure and zero-pressure volume V0 of 168.6 Å3, and K0 = 92.9 GPa and V0 = 156.4 Å3 for the cotunnite-type structure.
Keywords
Fluorine; Pressure; X-ray; Diffraction; HgF2
Disciplines
Atomic, Molecular and Optical Physics
Language
English
Repository Citation
Schyck, S.,
Evlyukhin, E.,
Kim, E.,
Pravica, M.
(2019).
High Pressure Behavior of Mercury Difluoride (HgF2).
Chemical Physics Letters, 724
35-41.
http://dx.doi.org/10.1016/j.cplett.2019.03.045