• Title of article

    Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

  • Author/Authors

    E.A. and Mastrikov، نويسنده , , Yu.A. and Heifets، نويسنده , , E. and Kotomin، نويسنده , , E.A and Maier، نويسنده , , J.، نويسنده ,

  • Issue Information
    هفته نامه با شماره پیاپی سال 2009
  • Pages
    10
  • From page
    326
  • To page
    335
  • Abstract
    We studied in detail the atomic and electronic structure of the LaMnO3 surfaces, in both cubic and orthorhombic phases, combining GGA-plane wave approach, as implemented into the VASP-4.6.19 computer code, with a slab model. These studies are complemented by a thermodynamic analysis of the surface stability at different gas pressures and temperatures. The obtained results are compared with similar studies for other ABO3-perovskites.
  • Keywords
    surfaces , Ab initio calculations , LaMnO3
  • Journal title
    Surface Science
  • Serial Year
    2009
  • Journal title
    Surface Science
  • Record number

    1704233

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1704233