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- ItemResonating holes vs molecular spin-orbit coupled states in group-5 lacunar spinels([London] : Nature Publishing Group UK, 2023) Petersen, Thorben; Bhattacharyya, Pritam; Rößler, Ulrich K.; Hozoi, LiviuThe valence electronic structure of magnetic centers is one of the factors that determines the characteristics of a magnet. This may refer to orbital degeneracy, as for jeff = 1/2 Kitaev magnets, or near-degeneracy, e.g., involving the third and fourth shells in cuprate superconductors. Here we explore the inner structure of magnetic moments in group-5 lacunar spinels, fascinating materials featuring multisite magnetic units in the form of tetrahedral tetramers. Our quantum chemical analysis reveals a very colorful landscape, much richer than the single-electron, single-configuration description applied so far to all group-5 GaM4X8 chalcogenides, and clarifies the basic multiorbital correlations on M4 tetrahedral clusters: while for V strong correlations yield a wave-function that can be well described in terms of four V4+V3+V3+V3+ resonant valence structures, for Nb and Ta a picture of dressed molecular-orbital jeff = 3/2 entities is more appropriate. These internal degrees of freedom likely shape vibronic couplings, phase transitions, and the magneto-electric properties in each of these systems.
- ItemLatitudinal wave coupling of the stratosphere and mesosphere during the major stratospheric warming in 2003/2004(München : European Geopyhsical Union, 2008) Pancheva, D.; Mukhtarov, P.; Mitchell, N.J.; Andonov, B.; Merzlyakov, E.; Singer, W.; Murayama, Y.; Kawamura, S.; Xiong, J.; Wan, W.; Hocking, W.; Fritts, D.; Riggin, D.; Meek, C.; Manson, A.The coupling of the dynamical regimes in the high- and low-latitude stratosphere and mesosphere during the major SSW in the Arctic winter of 2003/2004 has been studied. The UKMO zonal wind data were used to explore the latitudinal coupling in the stratosphere, while the coupling in the mesosphere was investigated by neutral wind measurements from eleven radars situated at high, high-middle and tropical latitudes. It was found that the inverse relationship between the variability of the zonal mean flows at high- and low-latitude stratosphere related to the SSW is produced by global-scale zonally symmetric waves. Their origin and other main features have been investigated in detail. Similar latitudinal dynamical coupling has been found for the mesosphere as well. Indirect evidence for the presence of zonally symmetric waves in the mesosphere has been found.