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

Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, 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. and Waghmare, Umesh V. 2010. Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet. Journal of Physics: Condensed Matter 22 (37) , 375502. 10.1088/0953-8984/22/37/375502

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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
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Publisher:	IOP Science
ISSN:	0953-8984
Last Modified:	23 Oct 2022 14:01
URI:	https://orca.cardiff.ac.uk/id/eprint/112548

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