TY - JOUR
T1 - Reaction of rhenium and carbon at high pressures and temperatures
AU - Juarez-Arellano, Erick A.
AU - Winkler, Björn
AU - Friedrich, Alexandra
AU - Wilson, Dan J.
AU - Koch-Müller, Monika
AU - Knorr, Karsten
AU - Vogel, Sven C.
AU - Wall, James J.
AU - Reiche, Helmut
AU - Crichton, Wilson
AU - Ortega-Aviles, Mayahuel
AU - Avalos-Borja, Miguel
N1 - Funding Information:
Acknowledgments. The authors gratefully acknowledge financial support from the DFG through Research Fellowships (WI 1232 within the projects SPP-1136 and SPP-1236), from DGAPA-UNAM grant IN-108908 and CONACyT-DAAD PROALMEX grant. DJW would like to thank the MaterialsGrid project for funding. Thanks are due to Désirée Argott de Juarez and Silvina Pagola for their comments and F. Ruiz for technical help.
PY - 2008
Y1 - 2008
N2 - A combined X-ray diffraction, EELS and DFT study of the reaction of rhenium with carbon at high-(P, T) conditions up to Pmax = 67 GPa and T max = 3800 K is presented. A hexagonal rhenium carbide, ReC x, was identified as the stable phase at high-(P, T) conditions. A composition of ReC0.5 is proposed. No evidence for a cubic ReC polymorph with rocksalt structure, as suggested in the literature, or for any other phase was found at the P-T conditions explored. A preliminary P-T rhenium-carbon phase diagram has been derived and properties such as bulk moduli and elastic stiffness coefficients were obtained.
AB - A combined X-ray diffraction, EELS and DFT study of the reaction of rhenium with carbon at high-(P, T) conditions up to Pmax = 67 GPa and T max = 3800 K is presented. A hexagonal rhenium carbide, ReC x, was identified as the stable phase at high-(P, T) conditions. A composition of ReC0.5 is proposed. No evidence for a cubic ReC polymorph with rocksalt structure, as suggested in the literature, or for any other phase was found at the P-T conditions explored. A preliminary P-T rhenium-carbon phase diagram has been derived and properties such as bulk moduli and elastic stiffness coefficients were obtained.
KW - Analytical electron microscopy
KW - Carbides
KW - Density functional theory (DFT)
KW - High pressures and temperatures
KW - Powder diffraction structure analysis
KW - Synchrotron radiation
KW - X-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=55949121949&partnerID=8YFLogxK
U2 - 10.1524/zkri.2008.0054
DO - 10.1524/zkri.2008.0054
M3 - Artículo
AN - SCOPUS:55949121949
SN - 0044-2968
VL - 223
SP - 492
EP - 501
JO - Zeitschrift fur Kristallographie
JF - Zeitschrift fur Kristallographie
IS - 8
ER -