Magnetization of Graphane by Dehydrogenation

ORAL

Abstract

Using first principles calculations, we show that each hydrogen vacancy created at graphane surface results in a local unpaired spin. For domains of hydrogen vacancies the situation is, however complex and depends on the size and geometry of domains, as well as whether the domains are single- or double-sided. In single-sided domains, hydrogen atoms at the other side are relocated to pair the spins of adjacent carbon atoms by forming $\pi $-bonds. Owing to the different characters of exchange coupling in different ranges and interplay between unpaired spin and the binding geometry of hydrogen, vacancy domains can attain sizable net magnetic moments.

*Under publication: Applied Physics Letters 95, 1xxxx (2009).

Authors

  • Hasan Sahin

    • Bilkent University- UNAM
    • Bilkent University, UNAM-Institute of Material Science and Nanotechnology
    • UNAM - Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey
    • UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Turkey
  • Can Ataca

    • Bilkent University
  • Salim Ciraci

    • UNAM - Institute of Materials Science and Nanotechnology
    • Bilkent University, UNAM-Institute of Materials Science and Nanotechnology
    • UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey
    • UNAM-Institute for Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey
    • Bilkent University, UNAM-Institute of Material Science and Nanotechnology
    • UNAM - Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey
    • Department of Physics, Bilkent University, Turkey