0000000001010787
AUTHOR
D. Santamaría-pérez
showing 2 related works from this author
Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid† †Electronic supplementary information (ESI) available: …
2019
Cubic cuprite-type gold(i) sulfide presents unique chemical bonding, which makes it unmodelable using current DFT methods, and a computational challenge.
Pbca-Type In2O3: The High-Pressure Post-Corundum phase at Room Temperature.
2014
High-pressure powder X-ray diffraction and Raman scattering measurements in cubic bixbyite-type indium oxide (c-In2O3) have been performed at room temperature. On increasing pressure c-In2O3 undergoes a transition to the Rh2O3-II structure but on decreasing pressure Rh2O3-II-type In2O3 undergoes a transition to a previously unknown phase with Pbca space group which is isostructural to Rh2O3-III. On further decrease of pressure, we observed a phase transition to the metastable corundum-type In2O3 near room conditions. Recompression of the metastable corundum-type In2O3 at room temperature leads to a transition to the Rh2O3-III phase, thus showing that the Rh2O3-III phase is the post-corundum…