Optical spectroscopy and photoemission of - and -cerium from LDA+DMFT
β Scribed by Kristjan Haule; Gabriel Kotliar
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 184 KB
- Volume
- 359-361
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
β¦ Synopsis
Using a novel approach to calculate optical properties of strongly correlated systems, we address the old question of the physical origin of the a ! g transitions in Ce. We find that the Kondo collapse model, involving both the f and the spd electrons, describes the optical data better than a Mott transition picture involving the f electrons only. Our results compare well with existing experiments on thin films. We predict the optical spectra for both a and g phases of Ce and find the development of a hybridization pseudogap in the vicinity of the phase transition.
π SIMILAR VOLUMES
The electronic structures of some transition-metal ions doping the ferroelectric oxide Ε½ BaTiO are calculated through the density functional theory framework LCAO-LSD ADF 3 . w x method on extended clusters XO Ba Ti embedded in a punctual charge set depicting 6 8 6 nq Ε½ . 3 q 4 q the crystalline en
In order to understand more deeply the surface enhanced Raman scattering (SERS) effect, we develop different models allowing the determination (i) of the morphology of silver or gold clusters in colloidal sols from their ultravioletΒ±visible extinction spectra and (ii) of the roughness features of si