Bulletin of the American Physical Society
APS March Meeting 2010
Volume 55, Number 2
Monday–Friday, March 15–19, 2010; Portland, Oregon
Session K1: Poster Session II (2:00 pm - 5:00 pm)
Tuesday, March 16, 2010
Room: Exhibit CD
Abstract ID: BAPS.2010.MAR.K1.226
Abstract: K1.00226 : Honeycomb Structures of Transition Metal-Group 6A Elements
Preview Abstract Abstract
In this study, we investigated the structural, electronic, magnetic properties and stability of MoS$_2$ like honeycomb structures, namely MX$_2$ where M is a transition metal atom (Ti, V, Cr, Mn, Fe, Co, Ni, Nb, Mo, W) and two group (X) 6A elements (O, S, Se, Te) in a unit cell, using first-principles density functional theory. The structure consists of three layers, two for group 6A elements and one for the transition metal atom. The stabilities of various new structures are further testified by phonon dispersion analysis. Unlike graphene, some of the new honeycomb structures resulted in magnetic ground states. It is also noted that metallic honeycomb structures also exist.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.K1.226
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