Unique features of the structural phase transition in acetylene showing simultaneous characteristics of reconstructive, displacive and order–disorder
- Resource Type
- Authors
- Jie Peng; Sijie Zhang; Keith Refson; Martin T Dove
- Source
- Physical Chemistry Chemical Physics. 25:9909-9924
- Subject
- General Physics and Astronomy
Physical and Theoretical Chemistry
- Language
- ISSN
- 1463-9084
1463-9076
We have studied the two phases of the molecular crystal acetylene, C2H2, using calculations of the lattice dynamics by Density Functional Theory methods.