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Agrestini, S.,Kuo, C.-Y.,Moretti Sala, M.,Hu, Z.,Kasinathan, D.,Ko, K.-T.,Glatzel, P.,Rossi, M.,Cafun, J.-D.,Kvashnina, K. O.,Matsumoto, A.,Takayama, T.,Takagi, H.,Tjeng, L. H.,Haverkort, M. W. American Physical Society 2017 Physical review. B Vol.95 No.20
<P>We have investigated the electronic structure of Sr2IrO4 using core-to-core resonant inelastic x-ray scattering. The experimental spectra can be well reproduced using ab initio density functional theory based multiplet ligand field theory calculations, thereby validating these calculations. We found that the low-energy, effective Ir t(2g) orbitals are practically degenerate in their crystal-field energy. We uncovered that Sr2IrO4 and iridates in general are negative charge transfer systems with large covalency and a substantial oxygen ligand hole character in the Ir t(2g) Wannier orbitals. This has far reaching consequences, as not only the on-site crystal-field energies are determined by the long-range crystal structure, but, more significantly, magnetic exchange interactions will have long-range distance dependent anisotropies in the spin direction. These findings set constraints and show pathways for the design of d(5) materials that can host compasslike magnetic interactions.</P>
Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study
Agrestini, S.,Hu, Z.,Kuo, C.-Y.,Haverkort, M. W.,Ko, K.-T.,Hollmann, N.,Liu, Q.,Pellegrin, E.,Valvidares, M.,Herrero-Martin, J.,Gargiani, P.,Gegenwart, P.,Schneider, M.,Esser, S.,Tanaka, A.,Komarek, A American Physical Society 2015 Physical review. B, Condensed matter and materials Vol.91 No.7