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1	Cohesive and Spectroscopic properties of the Lanthanides within the Hubbard I Approximation Locht, Inka Laura Marie January 2015 (has links) We describe the rare-earth elements using the Hubbard I approximation. We show that the theory reproduces the cohesive properties, like the volume and bulk modulus, and we find an excellent agreement between theory and experiment for the (inverse) photo emission spectra of the valence band. In addition we reproduce the spin and orbital moments of these elements. This licentiate thesis contains an introduction to the cohesive, magnetic and spectral properties of the rare-earth elements, to density functional theory and to density functional theory in combination with dynamical mean-field theory within the Hubbard I approximation. We also focus on some technical details, e.g. the optimal basis used in the electronic structure code and the role of charge self-consistency in properly describing the valence electrons. Lantanides rare earths cohesive properties volume bulk modulus magnetism magnetic properties photoemission spectroscopy XPS BIS Hubbard I Approximation DMFT DFT RSPt 4f electrons localization bonding
2	Scanning Tunneling Spectroscopy of Rare Earth Hexaborides Buchsteiner, Philipp 25 September 2020 (has links) No description available. 530 Physik (PPN621336750) rare earth hexaborides scanning tunneling microscopy scanning tunneling spectroscopy local density of states surface states surface reconstruction electronic structure dangling bonds 4f electrons low-energy electron diffraction density functional theory gamma ray diffraction

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Cohesive and Spectroscopic properties of the Lanthanides within the Hubbard I Approximation

Scanning Tunneling Spectroscopy of Rare Earth Hexaborides