title: Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet.
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.
authors.affiliation: African University of Science and Technology, Abuja, Nigeria.
authors.forename: Nelson Y
authors.initials: NY
authors.lastname: Dzade
authors.forename: Kingsley O
authors.initials: KO
authors.lastname: Obodo
authors.forename: Sampson K
authors.initials: SK
authors.lastname: Adjokatse
authors.forename: Akosa C
authors.initials: AC
authors.lastname: Ashu
authors.forename: Emmanuel
authors.initials: E
authors.lastname: Amankwah
authors.forename: Clement D
authors.initials: CD
authors.lastname: Atiso
authors.forename: Abdulhakeem A
authors.initials: AA
authors.lastname: Bello
authors.forename: Emmanuel
authors.initials: E
authors.lastname: Igumbor
authors.forename: Stany B
authors.initials: SB
authors.lastname: Nzabarinda
authors.forename: Joshua T
authors.initials: JT
authors.lastname: Obodo
authors.forename: Anthony O
authors.initials: AO
authors.lastname: Ogbuu
authors.forename: Olu Emmanuel
authors.initials: OE
authors.lastname: Femi
authors.forename: Josephine O
authors.initials: JO
authors.lastname: Udeigwe
authors.forename: Umesh V
authors.initials: UV
authors.lastname: Waghmare
mesh_terms: D004581:Electronics / Q000379:methods; D004583:Electrons; D006108:Graphite / Q000737:chemistry; D007477:Ions / Q000737:chemistry*; D008280:Magnetics / Q000295:instrumentation*; D008422:Materials Testing; D008670:Metals / Q000737:chemistry*; D008956:Models, Chemical; D012825:Silicon / Q000737:chemistry*; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D007477:Ions; D008670:Metals; D028561:Transition Elements; D006108:Graphite; D012825:Silicon