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Tetrahedrally bonded dense C2N3H with a defective wurtzite structure: X-ray diffraction and Raman scattering results at high pressure and ambient conditions.
PHYS REV B
, Article 104106. 10.1103/PhysRevB.80.104106.
Synchrotron x-ray diffraction and Raman scattering data supported by ab initio calculations are reported for the dense tetrahedrally bonded phase (C2N3H) with a defective wurtzite (dwur) structure synthesized by laser heating from dicyandiamide (C2N4H4) at high pressure in a diamond anvil cell. This work confirms the structure deduced in previous work from electron diffraction experiments. The phase (Cmc2(1)) is recoverable to ambient conditions. The ambient pressure volume (V-0=137.9 angstrom(3)) and bulk modulus (K-0 = 258 +/- 21 GPa) are in excellent agreement with density functional calculations (V-0 = 134.7 angstrom(3); K-0 = 270 GPa). The calculated Raman frequencies and pressure shifts are also in good agreement with experiment. Ammonia (P2(1)2(1)2(1)) was identified among the reaction products as expected from the synthesis reaction.
|Title:||Tetrahedrally bonded dense C2N3H with a defective wurtzite structure: X-ray diffraction and Raman scattering results at high pressure and ambient conditions|
|Keywords:||CARBON NITRIDES, LIGHT|
|UCL classification:||UCL > School of BEAMS
UCL > School of BEAMS > Faculty of Maths and Physical Sciences
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