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Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2005★ 57 cited
Ab initio study of magnesium alanate, Mg(AlH4)2
M. J. van Setten, G. A. de Wijs, V. A. Popa +1
Magnesium alanate Mg(AlH4)2 has recently raised interest as a potential material for hydrogen storage. We apply ab initio calculations to characterize structural, electronic and en…
cond-mat.mtrl-sci2004
Nonlinear dynamics and surface diffusion of diatomic molecules
C. Fusco, A. Fasolino
The motion of molecules on solid surfaces is of interest for technological applications, but it is also a theoretical challenge. We study the deterministic and thermal diffusive dy…
cond-mat.mtrl-sci2004★ 11 cited
On the effect of short-range magnetic ordering on electron energy-loss spectra in spinels
D. W. McComb, A. J. Craven, L. Chioncel +2
The energy-loss near-edge structure (ELNES) at the oxygen edge in two spinels (A=Mg, B=Al,Cr) is reported. In the experimental data is successfully modell…