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

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

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 addit...

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Bibliographic Details
Main Author: Locht, Inka Laura Marie
Format: Others
Language:English
Published: Uppsala universitet, Materialteori 2015
Subjects:
Lantanides
rare earths
cohesive properties
volume
bulk modulus
magnetism
magnetic properties
photoemission spectroscopy
XPS
BIS
Hubbard I Approximation
DMFT
DFT
RSPt
Full Potential Linear Muffin-tin orbitals
4f electrons
localization
bonding
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-267285

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-267285

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