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

Nelson Y. Dzade, Kingsley O. Obodo, Sampson K. Adjokatse, Akosa C. Ashu, Emmanuel Amankwah, Clement D. Atiso, Abdulhakeem A. Bello, Emmanuel Igumbor, Stany B. Nzabarinda, Joshua T. Obodo, Anthony O. Ogbuu, Olu Emmanuel Femi, Josephine O. Udeigwe, Umesh V. Waghmare

Research output: Contribution to journalArticlepeer-review

60 Scopus citations


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 MSi2. 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 CrSi2 forms a two-dimensional magnet exhibiting a strong piezomagnetic coupling.

Original languageEnglish (US)
Article number375502
JournalJournal of Physics Condensed Matter
Issue number37
StatePublished - Aug 25 2010

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics


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