Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet

J Phys Condens Matter. 2010 Sep 22;22(37):375502. doi: 10.1088/0953-8984/22/37/375502. Epub 2010 Aug 25.

Abstract

We use first-principles density functional theory based calculations to determine the stability and properties of silicene, a graphene-like structure made from silicon, and explore the possibilities of modifying its structure and properties through incorporation of transition metal ions (M: Ti, Nb, Ta, Cr, Mo and W) in its lattice, forming MSi(2). While pure silicene is stable in a distorted honeycomb lattice structure obtained by opposite out-of-plane displacements of the two Si sub-lattices, its electronic structure still exhibits linear dispersion with the Dirac conical feature similar to graphene. We show that incorporation of transition metal ions in its lattice results in a rich set of properties with a clear dependence on the structural changes, and that CrSi(2) forms a two-dimensional magnet exhibiting a strong piezomagnetic coupling.

MeSH terms

  • Electronics / methods
  • Electrons
  • Graphite / chemistry
  • Ions / chemistry*
  • Magnetics / instrumentation*
  • Materials Testing*
  • Metals / chemistry*
  • Models, Chemical*
  • Silicon / chemistry*
  • Transition Elements / chemistry*

Substances

  • Ions
  • Metals
  • Transition Elements
  • Graphite
  • Silicon