GENERAL ILL SEMINAR organised by College VII
Tuesday, February 14, 2012, 15h00
Seminar Room 1rst floor, ILL 4
Dr. Alexandra Friedrich
Institut für Geowissenschaften, Goethe-Universität Frankfurt am Main, Germany
Transition-metal carbides, nitrides and borides have a high potential for industrial applications as they generally show higher hardness, lower compressibility and higher melting points than the pure metals. The formation of new materials with high density and hence potential for high hardness is promising at extreme pressures and temperatures [1]. Rhenium has a high density of valence electrons and forms ultra-incompressible, hard Re2C and ReB2 [1]. No bulk rhenium nitrides have been known so far.
Reaction of rhenium and nitrogen was achieved in the diamond anvil cell at pressures up to 32 GPa via double-sided laser heating at temperatures up to 3000 K [2]. Two phases of rhenium nitrides were synthesized at different (p,T)-conditions. Samples were analysed in situ using powder synchrotron x-ray diffraction at the ALS (Berkeley, beamline 12.2.2). Both phases are ultra-incompressible with bulk moduli of ~400 GPa. Recovered samples were characterized using synchrotron x-ray Laue microdiffraction at the ALS beamline 12.3.2 and micro-Raman spectroscopy.
The crystal structures and ideal stoichiometries of both phases (Re3N and Re2N) were obtained from density functional theory (DFT)-based calculations and confirmed by Rietveld refinement of the rhenium positions. From the comparison of the Raman spectra of recovered samples with the results of lattice-dynamical calculations using DFT by our group [3] and by Deligoz et al. [4] the structural models of both rhenium nitrides could be confirmed with respect to the nitrogen atom positions. Further, the mode-Grüneisen parameters were obtained from pressure-dependent Raman-spectroscopic measurements and DFT-based calculations.
References:
[1] A. Friedrich, B. Winkler, E.A. Juarez-Arellano, L. Bayarjargal, Materials, 4, 1648, 2010.
[2] A. Friedrich, B. Winkler, L. Bayarjargal, W. Morgenroth, E.A. Juarez-Arellano, V. Milman, K. Refson, M. Kunz, K. Chen, Phys. Rev. Lett. 105, 085504, 2010.
[3] A. Friedrich, B. Winkler, K. Refson, V.Milman, Phys. Rev. B 82, 224106, 2010.
[4] E. Deligoz, K. Colakoglu, H.B. Ozisik, Y.O. Ciftci, Solid State Commun. 151, 1122, 2011.
M. Zbiri
(College VII Secretary)
Participants who have no badges allowing entrance to the ILL-ESRF site are kindly requested to give their names
to Laurence Tellier (tellier@ill.fr).