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Mg2GeO4 is an analogue for the ultra-high pressure behavior of Mg2SiO4, so we have investigated magnesium germanate to 275 GPa and over 2000 K using a laser-heated diamond anvil cell combined with in situ synchrotron X-ray diffraction and density functional theory (DFT) computations. The experimental results are consistent with a novel phase with disordered Mg and Ge, in which germanium adopts eight-fold coordination with oxygen: the cubic Th3P4- type structure. Simulations using the special quasirandom structure (SQS) method suggest partial order in the tetragonal I-42d structure, indistinguishable from I-43d Th3P4 in our experiments. These structures have not been reported before in any oxide. If applicable to silicates, the formation of this highly coordinated and intrinsically disordered phase would have important implications for the interior mineralogy of large, rocky extrasolar planets.
We report pressure-dependent reflection and transmission measurements on ZnCr$_2$Se$_4$, HgCr$_2$S$_4$, and CdCr$_2$O$_4$ single crystals at room temperature over a broad spectral range 200-24000 cm$^{-1}$. The pressure dependence of the phonon modes
Despite its interest for CMOS applications, Atomic Layer Deposition (ALD) of GeO$_{2}$ thin films, by itself or in combination with SiO$_{2}$, has not been widely investigated yet. Here we report the ALD growth of SiO$_{2}$/GeO$_{2}$ multilayers on S
A new layered perovskite-type oxide Ba$_2$RhO$_4$ was synthesized by a high-pressure technique with the support of convex-hull calculations. The crystal and electronic structure were studied by both experimental and computational tools. Structural re
We study the effect of Zn alloying on the hydrogen desorption properties of Mg(BH$_4$)$_2$ using $it{ab initio}$ simulations. In particular, we investigate formation/reaction enthalpies/entropies for a number of compounds and reactions at a wide rang
Studies of the behaviour of solids at ultra-high pressures, those beyond 200 GPa, contribute to our fundamental understanding of materials properties and allow an insight into the processes happening at such extreme conditions relevant for terrestria