Site and orbital selective correlations in β-Pu

被引：10

作者：

Brito, W. H. ^{[1
]}

Kotliar, G. ^{[1
,2
]}

机构：

[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

[2] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA

来源：

PHYSICAL REVIEW B | 2019年 / 99卷 / 12期

关键词：

ELECTRONIC-STRUCTURE; PLUTONIUM; TRANSITION; SPECTRA; STATES;

D O I：

10.1103/PhysRevB.99.125113

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We investigate the electronic structure of the highly anisotropic beta phase of metallic plutonium, within the combination of density functional theory and dynamical mean field theory. Its crystal structure gives rise to site and orbital selective electronic correlations, with coherent Pu-5f(5/2) states and very incoherent Pu-5f(7/2) states. The Hund's coupling is essential for determining the level of correlations of electrons in Pu-5f states, and for the quasiparticle multiplets features in the Pu-5f spectral function.

引用

页数：7

共 51 条

[1] A unified and efficient theory for the structural properties of actinides and phases of plutonium [J].

Amadon, Bernard ;

Dorado, Boris .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 30 (40)

[2] First-principles DFT plus DMFT calculations of structural properties of actinides: Role of Hund's exchange, spin-orbit coupling, and crystal structure [J].

Amadon, Bernard .

PHYSICAL REVIEW B, 2016, 94 (11)

[3] Orbital-selective Mott-insulator transition in Ca2-xSrxRuO4 [J].

Anisimov, VI ;

Nekrasov, IA ;

Kondakov, DE ;

Rice, TM ;

Sigrist, M .

EUROPEAN PHYSICAL JOURNAL B, 2002, 25 (02) :191-201

[4] First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+U method [J].

Anisimov, VI ;

Aryasetiawan, F ;

Lichtenstein, AI .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (04) :767-808

[5]

[Anonymous], 1993, TheKondo Problem to Heavy Fermions

[6]

Blaha P., 2001, An augmented plane wave+ local orbitals program for calculating crystal properties, V60

[7] Orbital-dependent correlations in PuCoGa5 [J].

Brito, W. H. ;

Choi, S. ;

Yao, Y. X. ;

Kotliar, G. .

PHYSICAL REVIEW B, 2018, 98 (03)

[8] Calculated phonon spectra of plutonium at high temperatures [J].

Dai, X ;

Savrasov, SY ;

Kotliar, G ;

Migliori, A ;

Ledbetter, H ;

Abrahams, E .

SCIENCE, 2003, 300 (5621) :953-955

[9] Selective Mott Physics as a Key to Iron Superconductors [J].

de' Medici, Luca ;

Giovannetti, Gianluca ;

Capone, Massimo .

PHYSICAL REVIEW LETTERS, 2014, 112 (17)

[10] Coherence-incoherence crossover in the normal state of iron oxypnictides and importance of Hund's rule coupling [J].

Haule, K. ;

Kotliar, G. .

NEW JOURNAL OF PHYSICS, 2009, 11

← 1 2 3 4 5 6 →