Journal article

Investigation of the electronic structure in La1-xCaxCoO₃ (x = 0, 0.5) using full potential calculations

  • Sahnoun, Mohammed Chemistry Department, University of Fribourg, Switzerland
  • Daul, Claude A. Chemistry Department, University of Fribourg, Switzerland
  • Haas, O. Department General Energy, Paul Scherrer Institut, Villigen, Switzerland
  • Wokaun, A. Department General Energy, Paul Scherrer Institut, Villigen, Switzerland
Show more…
    2006
Published in:
  • Journal of Physics: Condensed Matter. - 2006, vol. 17, no. 7995-8003
English The electronic and magnetic properties of both LaCoO₃ and La<sub>0.5</sub>Ca<sub>0.5</sub>CoO₃ have been investigated by means of <i>ab initio</i> full-potential augmented plane wave plus local orbitals (APW+lo) calculations carried out with the Wien 2<i>k</i> code. The functional used is the local-density approximation LDA +<i>U</i>. Doping with Ca²⁺ introduces holes into the Co–O network. We... Show more…
Faculty
Faculté des sciences
Department
Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/300092