Browsing by Author "Leedahl, B."

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    Electronic structure and structural defects in 3d-metal doped In2O3 [Articol]
    (Springer, 2019) Ho, J.; Becker, J.; Leedahl, B.; Boukhvalov, D. W.; Zhidkov, I. S.; Kukharenko, A. I.; Kurmaev, E. Z.; Cholakh, S. O.; Gavrilov, N. V.; Brinzari, Vladimir; Moewes, A.
    Dilute magnetic semiconductors (DMSs) are a highly attractive field of research due to their potential to open new technological functionality. Here, we perform a systematic study of In2O3 thin films with dopant ions of Mn, Co, Ni, and Fe to investigate the unique interaction of each of these ions and their incorporation into the semiconductor lattice. We report substitutional positioning of Fe atoms into the In3+ site and a mixture of interstitial, metallic clustering, and substitutional positioning for Co, Mn, and Ni, discriminating between oxidation states for all dopant atoms.
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    Fundamental crystal field excitations in magnetic semiconductor SnO2: Mn, Fe, Co, Ni [Articol]
    (Royal Society of Chemistry, 2019) Brinzari, Vladimir; Leedahl, B.; McCloskey, D. J.; Boukhvalov, D. W.
    Directly measuring elementary electronic excitations in dopant 3d metals is essential to understanding how they function as part of their host material. Through calculated crystal field splittings of the 3d electron band it is shown how transition metals Mn, Fe, Co, and Ni are incorporated into SnO2. The crystal field splittings are compared to resonant inelastic X-ray scattering (RIXS) experiments, which measure precisely these elementary dd excitations. The origin of spectral features can be determined and identified via this comparison, leading to an increased understanding of how such dopant metals situate themselves in, and modify the host's electronic and magnetic properties; and also how each element differs when incorporated into other semiconducting materials. We found that oxygen vacancy formation must not occur at nearest neighbour sites to metal atoms, but instead must reside at least two coordination spheres beyond. The coordination of the dopants within the host can then be explicitly related to the d-electron configurations and energies. This approach facilitates an understanding of the essential link between local crystal coordination and electronic/magnetic properties.