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

研究成果: Article査読

57 被引用数 (Scopus)


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.

ジャーナルJournal of Physics Condensed Matter
出版ステータスPublished - 2010 8月 25

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学


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