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

Dzade, Nelson Y. ; Obodo, Kingsley O. ; Adjokatse, Sampson K. ; Ashu, Akosa C. ; Amankwah, Emmanuel ; Atiso, Clement D. ; Bello, Abdulhakeem A. ; Igumbor, Emmanuel ; Nzabarinda, Stany B. ; Obodo, Joshua T. ; Ogbuu, Anthony O. ; Femi, Olu Emmanuel ; Udeigwe, Josephine O. ; Waghmare, Umesh V. (2010) Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet Journal of Physics: Condensed Matter, 22 (37). 375502_1-375502_7. ISSN 0953-8984

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Official URL: http://iopscience.iop.org/0953-8984/22/37/375502

Related URL: http://dx.doi.org/10.1088/0953-8984/22/37/375502

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 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.

Item Type:Article
Source:Copyright of this article belongs to Institute of Physics.
ID Code:59348
Deposited On:05 Sep 2011 09:19
Last Modified:05 Sep 2011 09:19

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