Tungsten Hexanitride with Single-Bonded Armchairlike Hexazine Structure at High Pressure

Volume: 126, Issue: 6
Published: Feb 8, 2021
Abstract
{\mathrm{WN}}_{6}phase discovered at 126--165 GPa after heating of W in nitrogen. XRD refinements reveal a unit cell in space group R\overline{3}mwhich is consistent with the {\mathrm{WN}}_{6}structure with armchairlike hexazine ({\mathrm{N}}_{6} rings, while strong {A}_{1g}Raman mode confirms its \mathrm{N}─\mathrm{N}single bonds. Density functional theory (DFT) calculations reveal balanced contributions of attractive...
Paper Details
Title
Tungsten Hexanitride with Single-Bonded Armchairlike Hexazine Structure at High Pressure
Published Date
Feb 8, 2021
Volume
126
Issue
6
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