An alternative model for electron correlation in Pu

被引：22

作者：

Yu, S. W. ^{[1
]}

Tobin, J. G. ^{[1
]}

Soderlind, P. ^{[1
]}

机构：

[1] LLNS LLC, Lawrence Livermore Natl Lab, Livermore, CA USA

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2008年 / 20卷 / 42期

关键词：

D O I：

10.1088/0953-8984/20/42/422202

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using a density functional theory based approach that treats the 5f electrons relativistically, a Pu electronic structure with zero net magnetic moment is obtained, where the 5f orbital and 5f spin moments cancel each other. By combining the spin and orbital specific densities of states with state, spin and polarization specific transition moments, it is possible to reconstruct the experimentally observed photoemission spectra from Pu. Extrapolating to a spin-resolving Fano configuration, it is shown how this would resolve the extant controversy over Pu electronic structure.

引用

页数：5

共 27 条

[1] Electronic structure of α- and δ-Pu from photoelectron spectroscopy [J].

Arko, AJ ;

Joyce, JJ ;

Morales, L ;

Wills, J ;

Lashley, J ;

Wastin, F ;

Rebizant, J .

PHYSICAL REVIEW B, 2000, 62 (03) :1773-1779

[2] SPIN ORIENTATION OF PHOTOELECTRONS - ERRATUM AND ADDENDUM [J].

FANO, U .

PHYSICAL REVIEW, 1969, 184 (01) :250-&

[3] SPIN ORIENTATION OF PHOTOELECTRONS EJECTED BY CIRCULARLY POLARIZED LIGHT [J].

FANO, U .

PHYSICAL REVIEW, 1969, 178 (01) :131-&

[4] NATURE OF 5F ELECTRONS IN ACTINIDE SERIES [J].

JOHANSSON, B .

PHYSICAL REVIEW B, 1975, 11 (08) :2740-2743

[5] Absence of magnetic moments in plutonium [J].

Lashley, JC ;

Lawson, A ;

McQueeney, RJ ;

Lander, GH .

PHYSICAL REVIEW B, 2005, 72 (05)

[6] Failure of Russell-Saunders coupling in the 5f states of plutonium -: art. no. 196404 [J].

Moore, KT ;

Wall, MA ;

Schwartz, AJ ;

Chung, BW ;

Shuh, DK ;

Schulze, RK ;

Tobin, JG .

PHYSICAL REVIEW LETTERS, 2003, 90 (19) :4

[7] ATOMS, MOLECULES, SOLIDS, AND SURFACES - APPLICATIONS OF THE GENERALIZED GRADIENT APPROXIMATION FOR EXCHANGE AND CORRELATION [J].

PERDEW, JP ;

CHEVARY, JA ;

VOSKO, SH ;

JACKSON, KA ;

PEDERSON, MR ;

SINGH, DJ ;

FIOLHAIS, C .

PHYSICAL REVIEW B, 1992, 46 (11) :6671-6687

[8] Nature of non-magnetic strongly-correlated state in δ-plutonium [J].

Pourovskii, LV ;

Katsnelson, MI ;

Lichtenstein, AI ;

Havela, L ;

Gouder, T ;

Wastin, F ;

Shick, AB ;

Drchal, V ;

Lander, GH .

EUROPHYSICS LETTERS, 2006, 74 (03) :479-485

[9] Coulomb-U and magnetic-moment collapse in δ-Pu [J].

Shick, AB ;

Drchal, V ;

Havela, L .

EUROPHYSICS LETTERS, 2005, 69 (04) :588-594

[10] Fluctuating valence in a correlated solid and the anomalous properties of δ-plutonium [J].

Shim, J. H. ;

Haule, K. ;

Kotliar, G. .

NATURE, 2007, 446 (7135) :513-516

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