9 papers
Pressure-Induced Irreversible Disorder in $β^{\prime}$-Mn(PO): A High-Pressure X-ray Diffraction and Density-Functional Theory Study
Ana Melissa P. Brito, Neha Bura, Pablo Botella +7
The high-pressure structural behavior of $β^\prime$-Mn(PO) was investigated using synchrotron X-ray diffraction up to 20 GPa combined with density-functional theory ca…
High-Pressure Structural Evolution of Na2ZrSi2O7 and Na2ZrSi2O7.H2O: Topology-Driven Compression Behaviors, Phase Stability, and Electronic Transitions
Peijie Zhang, Pablo Botella, Neha Bura +6
Silicate frameworks exhibit diverse structural responses under extreme conditions, which are strongly influenced by hydration. Here, we present a comparative high-pressure synchrot…
The effect of pressure in the crystal and magnetic structure of FeWO4
Oscar Fabelo, Javier Gonzalez-Platas, Stanislav Savvin +2
The temperature dependence of the structural and magnetic properties of wolframite-type FeWO4 were studied in situ by high pressure neutron diffraction. Neutron diffraction measure…
Effects of Compression on the Local Iodine Environment in Dipotassium Zinc Tetraiodate(V) Dihydrate K2Zn(IO3)4.2H2O
Daniel Errandonea, Robin Turnbull, Hussien H. H. Osman +8
Combining X-ray diffraction with density-functional theory and electron topology calculations we found that pressure substantially modifies the bonding in K2Zn(IO3)4.2H2O. We disco…
Comparative high-pressure study on rare-earth entropy fluorite-type oxides
Pablo Botellaa, David Vie, Leda Kolarek +6
We report a comparative high-pressure study of two fluorite-type rare-earth oxides with increasing configurational entropy, (CePr)O and (CePrLa)O. Synchrotron-bas…
High-Pressure X-Ray Diffraction Study of Scheelite-type Perrhenates
Neha Bura, Pablo Botella, Catalin Popescu +7
The effects of pressure on the crystal structure of scheelite-type perrhenates were studied using synchrotron powder X-ray diffraction and density-functional theory. At ambient con…