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Semiconducting substances form one of the most important families of functional materials. However, semiconductors containing only metals are very rare. The chemical mechanisms behind their ground‐state properties are only partially understood. Our investigations have rather unexpectedly revealed the semiconducting behaviour (band gap of 190 meV) for the intermetallic compound Be5Pt formed at a very low valence‐electron count. Quantum‐chemical analysis shows strong charge transfer from Be to Pt and reveals a three‐dimensional entity of vertex‐condensed empty Be4 tetrahedrons with multi‐atomic cluster bonds interpenetrated by the framework of Pt‐filled vertex‐condensed Be4 tetrahedrons with two‐atomic polar Be−Pt bonds. The combination of strong Coulomb interactions with relativistic effects results in a band gap. [ABSTRACT FROM AUTHOR]

A layered Sr2Co0.5Ir0.5O4 (space group I4/ mmm) perovskite of the K2NiF4 structure type was synthesized as a single-phase sample. Neutron powder diffraction measurements revealed full site occupancy of oxygen atoms. The Co3+/Ir5+ valence states were evaluated by a combination of X-ray absorption and X-ray photoemission spectroscopy as well as by magnetization measurements, and thus the differences to the parent compounds Sr2CoO4 and Sr2IrO4 with similar structures were confirmed. Co- K edge EXAFS studies indicated a long average Co-O distance of 1.967 Å suggesting a high-spin state of the Co3+ ion in Sr2Co0.5Ir0.5O4. No long-range magnetic ordering down to 4 K was detected by neutron powder diffraction, probably hindered by the random distribution of Co and Ir cations in the Sr2Co0.5Ir0.5O4 structure. High-pressure synchrotron powder diffraction studies showed stability of the Sr2Co0.5Ir0.5O4 structure up to at least 27 GPa at room temperature. A maximum in the c/a ratio at 10 GPa together with an anomaly in the pressure dependence of the unit-cell volume could be a sign of a change in the spin state of the Co ions under pressure. [ABSTRACT FROM AUTHOR]

In this study an analysis strategy towards using the resonant inelastic X-ray scattering (RIXS) technique more effectively compared with X-ray absorption spectroscopy (XAS) is presented. In particular, the question of when RIXS brings extra information compared with XAS is addressed. To answer this question the RIXS plane is analysed using two models: (i) an exciton model and (ii) a continuum model. The continuum model describes the dipole pre-edge excitations while the exciton model describes the quadrupole excitations. Applying our approach to the experimental 1 s2 p RIXS planes of VO2 and TiO2, it is shown that only in the case of quadrupole excitations being present is additional information gained by RIXS compared with XAS. Combining this knowledge with methods to calculate the dipole contribution in XAS measurements gives scientists the opportunity to plan more effective experiments. [ABSTRACT FROM AUTHOR]

A layered Sr2Co0.5Ir0.5O4 (space group I4/ mmm) perovskite of the K2NiF4 structure type was synthesized as a single-phase sample. Neutron powder diffraction measurements revealed full site occupancy of oxygen atoms. The Co3+/Ir5+ valence states were evaluated by a combination of X-ray absorption and X-ray photoemission spectroscopy as well as by magnetization measurements, and thus the differences to the parent compounds Sr2CoO4 and Sr2IrO4 with similar structures were confirmed. Co- K edge EXAFS studies indicated a long average Co-O distance of 1.967 Å suggesting a high-spin state of the Co3+ ion in Sr2Co0.5Ir0.5O4. No long-range magnetic ordering down to 4 K was detected by neutron powder diffraction, probably hindered by the random distribution of Co and Ir cations in the Sr2Co0.5Ir0.5O4 structure. High-pressure synchrotron powder diffraction studies showed stability of the Sr2Co0.5Ir0.5O4 structure up to at least 27 GPa at room temperature. A maximum in the c/a ratio at 10 GPa together with an anomaly in the pressure dependence of the unit-cell volume could be a sign of a change in the spin state of the Co ions under pressure. [ABSTRACT FROM AUTHOR]