The open archive for STFC research publications

Full Record Details

Persistent URL http://purl.org/net/epubs/work/64214
Record Status Checked
Record Id 64214
Title Experimental evidence for the structural models of Re2N and Re2C from micro-Raman spectroscopy
Abstract The vibrational properties of the high-pressure, high-temperature phases of hexagonal Re2N rhenium nitride and Re2C rhenium carbide are reported from micro-Raman spectroscopy at ambient and high pressure and from theoretical calculations based on density functional theory. These data confirm the structural model of Re2N proposed recently. The ambiguity of the location of the carbon position in Re2C is resolved. We show that the structures of Re2N and Re2C are isotypic, with the N and C atoms occupying the same trigonal prismatic voids in the hexagonal stacking of Re atoms. The effect of pressure on vibrational properties is investigated, and mode Gr√ľneisen parameters of the Raman-active modes are found to be between 1.1 and 1.6 for both Re2N and Re2C.
Organisation CSE , CSE-CMSG , STFC
Funding Information
Related Research Object(s):
Licence Information:
Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article Phys Rev B 86, no. 1 (2012): 014114. doi:10.1103/PhysRevB.86.014114 2012