Literature DB >> 11800901

Spectral and magnetic properties of alpha- and gamma-Ce from dynamical mean-field theory and local density approximation.

M B Zölfl1, I A Nekrasov, T Pruschke, V I Anisimov, J Keller.   

Abstract

We present excitation spectra for Ce metal obtained with an ab initio scheme combining local density approximation and dynamical mean-field theory including itinerant spd and correlated f states. The local interactions among the f electrons lead to typical many-body resonances in the f density of states (DOS), such as lower and upper Hubbard bands and the Kondo resonance. The spd DOS show weak renormalization effects due to hybridization. We observe different Kondo temperatures for alpha- and gamma-Ce due to strong volume dependence of the effective hybridization strength for the localized f electrons. Finally we compare our results with a variety of experimental data.

Entities:  

Year:  2001        PMID: 11800901     DOI: 10.1103/PhysRevLett.87.276403

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Substitutional alloy of Ce and Al.

Authors:  Qiao-Shi Zeng; Yang Ding; Wendy L Mao; Wei Luo; Andreas Blomqvist; Rajeev Ahuja; Wenge Yang; Jinfu Shu; Stas V Sinogeikin; Yue Meng; Dale L Brewe; Jian-Zhong Jiang; Ho-Kwang Mao
Journal:  Proc Natl Acad Sci U S A       Date:  2009-02-02       Impact factor: 11.205

2.  Bandwidth-control orbital-selective delocalization of 4f electrons in epitaxial Ce films.

Authors:  Yi Wu; Yuan Fang; Peng Li; Zhiguang Xiao; Hao Zheng; Huiqiu Yuan; Chao Cao; Yi-Feng Yang; Yang Liu
Journal:  Nat Commun       Date:  2021-05-04       Impact factor: 14.919

  2 in total

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