title: Electronic structure and magnetic state of transuranium metals under pressure.
abstract: The electronic structures of bcc Np, fcc Pu, Am, and Cm pure metals under pressure have been investigated employing the LDA + U method with spin-orbit coupling (LDA + U + SO). The magnetic state of the actinide ions was analyzed in both LS and jj coupling schemes to reveal the applicability of corresponding coupling bases. It was demonstrated that whereas Pu and Am are well described within the jj coupling scheme, Np and Cm can be described appropriately neither in a {mσ}, nor in a {jmj} basis, due to intermediate coupling scheme realization in these metals that requires some finer treatment. The LDA + U + SO results for the considered transuranium metals reveal band broadening and gradual 5f electron delocalization under pressure.
authors.affiliation: Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620990 Yekaterinburg, Russia. Ural Federal University, 620002 Yekaterinburg, Russia.
authors.forename: A V
authors.initials: AV
authors.lastname: Lukoyanov
authors.forename: A O
authors.initials: AO
authors.lastname: Shorikov
authors.forename: V B
authors.initials: VB
authors.lastname: Bystrushkin
authors.forename: A A
authors.initials: AA
authors.lastname: Dyachenko
authors.forename: L R
authors.initials: LR
authors.lastname: Kabirova
authors.forename: Yu Yu
authors.initials: YY
authors.lastname: Tsiovkin
authors.forename: A A
authors.initials: AA
authors.lastname: Povzner
authors.forename: V V
authors.initials: VV
authors.lastname: Dremov
authors.forename: M A
authors.initials: MA
authors.lastname: Korotin
authors.forename: V I
authors.initials: VI
authors.lastname: Anisimov