Electronic Energy Band Structure of the Actinide Metals

Freeman, Arthur J; Koelling, D. D.

doi:10.1016/b978-0-12-266701-5.50009-7

Cited by 33 publications

(8 citation statements)

References 71 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Before this, we will compile all the O 4,5 and N 4,5 EELS edges, derivate and summarize the multi-electron atomic spectral calculations used to analyze the EELS data, and assemble the published inverse, valence-band, and 4f photoemission data. While there are several books on actinide physics and chemistry, such as Freeman and Darby (1974), Freeman and Lander (1985), and Morss et al, (2006), we will strive throughout this review to reference the original literature publications when possible. Lastly of note, unpublished research that is in progress will be discussed and referenced at points throughout the review, since we feel presenting such data and ideas, albeit preliminary, does service for the community.…”

Section: B Actinide Series Overviewmentioning

confidence: 99%

Nature of the5fstates in actinide metals

2009

View full text Add to dashboard Cite

Actinide elements produce a plethora of interesting physical behaviors due to the 5f states. This review compiles and analyzes progress in understanding of the electronic and magnetic structure of the 5f states in actinide metals. Particular interest is given to electron energy-loss spectroscopy and many-electron atomic spectral calculations, since there is now an appreciable library of core d → valence f transitions for Th, U, Np, Pu, Am, and Cm. These results are interwoven and discussed against published experimental data, such as x-ray photoemission and absorption spectroscopy, transport measurements, and electron, x-ray, and neutron diffraction, as well as theoretical results, such as density-functional theory and dynamical mean-field theory.

show abstract

Section: B Actinide Series Overviewmentioning

confidence: 99%

Nature of the5fstates in actinide metals

2009

View full text Add to dashboard Cite

show abstract

“…The itinerant nature of the 5f electrons in the light actinide metals is well known [4]. Their electronic structure and optical properties is well described by local spin-density approximation (LSDA) band structure calculations [11,12].…”

Section: Introductionmentioning

confidence: 99%

“…Intensive experimental and theoretical study over more than two decades [4][5][6][7][8] has revealed that 5f magnetism is quite complex because Coulomb, spin-orbit, crystalline field, and exchange energies in 5f systems are of the same order of magnitude.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and magneto-optical Kerr effect in the compound UCuP2

Horpynyuk

Nemoshkalenko

Antonov

et al. 2002

Low Temperature Physics

View full text Add to dashboard Cite

The optical and magneto-optical (MO) spectra of the ternary compound UCuP 2 are investigated from first principles, using the fully relativistic Dirac linear-muffin-tin-orbital band structure method and density-functional theory in the local spin-density approximation. Within a band-like description of the 5f electrons, good agreement with the measured MO spectra is obtained. The origin of the Kerr rotation in the compound is examined.

show abstract

“…The energy bandwidths and placings as given by the empirical Wigner-Seitz rules for U0 2 (ionicity = 2 +) are shown in figure 1 for the three different exchange correlation potentials. We have found that the band structure is sensitive to the exchange potential mainly through the 5f levels as is the case for the actinide metals [2]. We therefore used the LD exchange correlation potential for all further calculations thus removing the arbitrary Xa parameter.…”

mentioning

confidence: 99%

“…The model. -We use the relativistic form of the LMTO method which has been shown by Freeman and Koelling [2] to be necessary for the actinides. This includes mass velocity and Darwin shifts but at this stage spin-orbit coupling has been omitted to make the calculation tractable.…”

mentioning

confidence: 99%