TY - JOUR
T1 - Silicene and transition metal based materials
T2 - Prediction of a two-dimensional piezomagnet
AU - Dzade, Nelson Y.
AU - Obodo, Kingsley O.
AU - Adjokatse, Sampson K.
AU - Ashu, Akosa C.
AU - Amankwah, Emmanuel
AU - Atiso, Clement D.
AU - Bello, Abdulhakeem A.
AU - Igumbor, Emmanuel
AU - Nzabarinda, Stany B.
AU - Obodo, Joshua T.
AU - Ogbuu, Anthony O.
AU - Emmanuel Femi, Olu
AU - Udeigwe, Josephine O.
AU - Waghmare, Umesh V.
PY - 2010/8/25
Y1 - 2010/8/25
N2 - 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.
AB - 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.
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U2 - 10.1088/0953-8984/22/37/375502
DO - 10.1088/0953-8984/22/37/375502
M3 - Article
C2 - 21403198
AN - SCOPUS:77957036625
SN - 0953-8984
VL - 22
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
IS - 37
M1 - 375502
ER -