Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/121144
Title: Tetrahedrally bonded dense C2N3H with a defective wurtzite structure: X-ray diffraction and Raman scattering results at high pressure and ambient conditions
Authors: Salamat, A.
Woodhead, K.
McMillan, P. F.
Quesada Cabrera, Raúl 
Rahman, A.
Adriaens, D.
Cora, F.
Perrillat, J. P.
UNESCO Clasification: 230117 Espectroscopia Ramn
230120 Espectroscopia de rayos x
Issue Date: 2009
Journal: Physical Review B 
Abstract: Synchrotron x-ray diffraction and Raman scattering data supported by ab initio calculations are reported for the dense tetrahedrally bonded phase (C2 N3 H) with a defective wurtzite (dwur) structure synthesized by laser heating from dicyandiamide (C2 N4 H4) at high pressure in a diamond anvil cell. This work confirms the structure deduced in previous work from electron diffraction experiments. The phase (Cmc 21) is recoverable to ambient conditions. The ambient pressure volume (V0 =137.9 3) and bulk modulus (K0 =258±21GPa) are in excellent agreement with density functional calculations (V0 =134.7 3; K0 =270GPa). The calculated Raman frequencies and pressure shifts are also in good agreement with experiment. Ammonia (P 21 21 21) was identified among the reaction products as expected from the synthesis reaction. © 2009 The American Physical Society.
URI: http://hdl.handle.net/10553/121144
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.80.104106
Source: Physical Review B [ISSN 1098-0121], v. 80, 2009
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