Journal ArticleDOI
Energy position of 4f levels in rare-earth metals
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TLDR
In this paper, the energy position of the occupied and unoccupied 4f levels relative to the Fermi energy is studied for the rare-earth metals by treating the excited state as an impurity in an otherwise perfect crystal.Abstract:
The energy position of the occupied and unoccupied 4f levels relative to the Fermi energy is studied for the rare-earth metals. This is done by treating the excited state as an impurity in an otherwise perfect crystal. This picture is first considered in the complete screening approximation. In this approximation thermochemical data can be used directly to give energy values for the unoccupied f levels which are accurate to +- 0.05 eV; for the occupied f levels the uncertainty is somewhat larger. The obtained values are then compared with recent x-ray photoemission spectroscopy (XPS) and Bremsstrahlung isochromal spectroscopy data. The deviations found are discussed in terms of impurity effects left out in the complete screening approximation. When these effects are included a general good agreement with experiment is obtained. The consistency found in the XPS results is utilized for an improved estimation of the fourth ionization energy of the rare earths.read more
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Journal ArticleDOI
Study of the 4f and valence band density of states in rare-earth metals. II. Experiment and results
TL;DR: In this article, the 4f and valence states of all metallic rare earths have been studied using X-ray photoelectron spectroscopy (XPS) for the occupied part and bremsstrahlung isochromat (BIS) for unoccupied part, and it is found that the bandwidth increases from Gd to Lu, and that the valence band spectra are in fair agreement with APW calculations.
Journal ArticleDOI
Understanding the valency of rare earths from first-principles theory
TL;DR: In this paper, the authors report first-principles electronic-structure calculations that enable them to determine both the valency and the lattice size as a function of atomic number, and hence understand the valence transitions.
Journal ArticleDOI
Modeling the chemical shift of lanthanide 4f electron binding energies
TL;DR: In this article, a model that relates the chemical shift of the 4f-electron binding energy in the divalent lanthanide with that in the trivalent one was proposed.
Journal ArticleDOI
Some exact results for dilute mixed-valent and heavy-fermion systems
TL;DR: In this article, the degenerate Anderson model is used to obtain exact results for magnetic impurities in simple metals, in particular in the presence of mechanisms lifting the degeneracy of the f-level, e.g. crystalline fields, spin-orbit coupling and the magnetic field.
Journal ArticleDOI
Positron lifetime calculation for the elements of the periodic table
TL;DR: Theoretical positron lifetime values have been calculated systematically for most of the elements of the periodic table and confirm that monovacancy lifetimes follow the same behaviour.
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