Antiferromagnetic coupling in the epitaxial growth of Fe on the CrN (001) surface

POSTER

Abstract

By spin-polarized DFT calculations we investigated the structural, electronic and magnetic properties of the epitaxial growth of Fe on the CrN (001) surface. We employed the Surface Formation Energy (SFE) formalism to investigated the thermodynamic stability of the different surface. According with the calculations four structures results to be stables: The ideal CrN surface terminated and three different surfaces with Fe (The A12-Fe, A-3Fe and A-CrN models). The magnetic properties of the most stable models are investigated, the ideal CrN surface terminated shows an antiferromagnetic (AFM) behavior with metallic characteristics. In all cases we found a ferromagnetic (FM) behavior in the zones with contains only Fe atoms. About the interaction between the Fe and Cr atoms, an antiferromagnetic coupling is observed in all cases. The average magnetization of the Fe atoms on top of the structure is 2.49 µB, while the average magnetization of the Cr atoms is of the order of 2.5 µB.

Presenters

  • Rodrigo Ponce

    • Centro de Nanociencias y Nanotecnologia, UNAM
    • Instituto de Fisica, Benemerita Universidad Autonoma de Puebla
    • National Autonomous University of Mexico
    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico

Authors

  • Rodrigo Ponce

    • Centro de Nanociencias y Nanotecnologia, UNAM
    • Instituto de Fisica, Benemerita Universidad Autonoma de Puebla
    • National Autonomous University of Mexico
    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico

  • Khan Alam

    • Nanoscale and Quantum Phenomena Institute, Department of Physics and Astronomy, Ohio University
    • Physics Department, King Fahd University of Petroleum and Minerals
    • Department of Physics, King Fahd University of Petroleum and Minerals

  • Noboru Takeuchi

    • Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México
    • Center of Nanoscience and Nanotechology, National Autonomous University of Mexico
    • National Autonomous University of Mexico Institute of Nanoscience and Nanotechnology
    • Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico
    • Universidad Nacional Autónoma de México
    • National Autonomous University of Mexico

  • Arthur Smith

    • Ohio University
    • Department of Physics and Astronomy, Ohio University
    • Nanoscale and Quantum Phenomena Institute, Department of Physics and Astronomy, Ohio University