Jump to main content
Jump to site search

Issue 31, 2018
Previous Article Next Article

Electron localization in niobium doped CaMnO3 due to the energy difference of electronic states of Mn and Nb

Author affiliations

Abstract

The electron localization in Nb-doped CaMnO3 is analyzed in terms of the space and energy distribution of electronic states employing first-principles calculations. The energy difference of Mn 3d states and Nb 4d states makes NbO6 octahedra impede electrical conduction, so the random distribution of Nb in lattices leads to the localization of electrons near the bottom of the conduction bands. Therefore, although more carriers are introduced when Nb-doping content increases, both the electrical conductivity and absolute thermopower decrease in Nb heavy doped CaMnO3. The calculated transport properties agree well with the experimental data, supporting the analysis of localization.

Graphical abstract: Electron localization in niobium doped CaMnO3 due to the energy difference of electronic states of Mn and Nb

Back to tab navigation

Supplementary files

Publication details

The article was received on 02 May 2018, accepted on 23 Jul 2018 and first published on 23 Jul 2018


Article type: Paper
DOI: 10.1039/C8CP02783H
Citation: Phys. Chem. Chem. Phys., 2018,20, 20571-20574
  •   Request permissions

    Electron localization in niobium doped CaMnO3 due to the energy difference of electronic states of Mn and Nb

    Y. Li, J. Liu, J. Li, Y. Chen, X. Zhang, X. Wang, F. Wang, W. Su, L. Zhao and C. Wang, Phys. Chem. Chem. Phys., 2018, 20, 20571
    DOI: 10.1039/C8CP02783H

Search articles by author

Spotlight

Advertisements