Publication result detail

Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study

AUGUSTINSKÝ, P.; KŘÁPEK, V.; KUNEŠ, J.

Original Title

Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study

English Title

Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study

Type

WoS Article

Original Abstract

Hole and electron doped LaCoO3 is studied using dynamical mean-field theory. The one-particle spectra are analyzed and compared to the available experimental data, in particular the x-ray absorption spectra. Analyzing the temporal spin-spin correlation functions we find the atomic intermediate spin state is not important for the observed Curie-Weiss susceptibility. Contrary to the commonly held view about the roles played by the t2g and eg electrons we find narrow quasiparticle bands of t2g character crossing the Fermi level accompanied by strongly damped eg excitations

English abstract

Hole and electron doped LaCoO3 is studied using dynamical mean-field theory. The one-particle spectra are analyzed and compared to the available experimental data, in particular the x-ray absorption spectra. Analyzing the temporal spin-spin correlation functions we find the atomic intermediate spin state is not important for the observed Curie-Weiss susceptibility. Contrary to the commonly held view about the roles played by the t2g and eg electrons we find narrow quasiparticle bands of t2g character crossing the Fermi level accompanied by strongly damped eg excitations

Keywords

Spin state transition; Hubbard model; LDA+DMFT; Magnetic perovskites

Key words in English

Spin state transition; Hubbard model; LDA+DMFT; Magnetic perovskites

Authors

AUGUSTINSKÝ, P.; KŘÁPEK, V.; KUNEŠ, J.

RIV year

2014

Released

28.06.2013

ISBN

0031-9007

Periodical

Physical Review Letters

Volume

110

Number

26

State

United States of America

Pages from

267204-1

Pages to

267204-5

Pages count

5