Nature of the5fstates in actinide metals

Abstract

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.

Spin-moment formation and reduced orbital polarization in LaNiO3/LaAlO3superlattice:LDA+UHan1, Veenendaal2 2012Phys. Rev. B224182View full textAdd to dashboardCite

“…1(a) and (b) indicate the possibility of AFM ground state in the negative U region which is more or less related to the reported charge disorders in the nickelate systems 32,33 . Therefore one needs to be careful in the interpretation of our LDA+U results on the FM spin ground state as an indication of long range ordered ground state as one may see in the actinide systems for example 34,35 .…”

First-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity

“…Besides playing an important role in both technological applications and environmental issues, Pu metal and its oxides show many intricate physical behaviors due to the complex electronic structure properties of 5f states [1][2][3][4]. Therefore, a thorough understanding of the physical and chemical properties of PuO 2 is of great significance, full of challenges and has always attracted attention.…”

XPS Study of Ion Irradiated and Unirradiated UO2 Thin Films

“…Adsorption energies of water on differently oriented uranium dioxide planes were calculated. 14, 15,16 The work on the study of the electronic structure of uranium and its alloys [17][18][19][20][21] and oxides UO 2+x (x≤0 and x≥0) employed theoretical calculation results, [22][23][24][25][26][27][28][29][30][31][32][33][34] photoelectron spectroscopy (PES) [35][36][37][38][39][40][41] and X-ray photoelectron spectroscopy (XPS) widely. 38,[42][43][44][45][46][47][48][49][50][51][52][53][54][55] These techniques were used to study films on various substrates.…”