Magnetism and superconductivity in amorphous carobn

ORAL

Abstract

We study magnetic and superconducting properties of amorphous carbon based on molecular dynamics simulations. First we use spin constrained first-principles simulations to obtain amorphous carbon structures with a desired magnetization. We show that the existence of sp2-like threefold coordinated carbon atoms plays an important role in causing magnetism in amorphous carbon. We predict detailed geometries of threefold carbon atoms that induce the magnetic order in amorphous carbon. We also consider the effect of boron doping on superconducting properties of amorphous carbon. By considering amorphous structures with various sp2:sp3 ratios, we find that sp3-hybridized atoms are necessary for high superconducting transition temperature in contrast to the magnetism.

Presenters

  • Yuki Sakai

    Institute for Computational Engineering and Sciences, University of Texas at Austin

Authors

  • Yuki Sakai

    Institute for Computational Engineering and Sciences, University of Texas at Austin

  • James Chelikowsky

    Department of Physics, University of Texas at Austin, University of Texas at Austin

  • Marvin L Cohen

    Department of Physics, University of California at Berkeley, Physics, UC Berkeley, University of California, Berkeley