title: Two-dimensional tetragonal TiC monolayer sheet and nanoribbons.
abstract: We report a two-dimensional tetragonal Titanium Carbide (TiC) monolayer sheet with distinguished structure and properties based on comprehensive first-principles calculations. The TiC sheet exhibits a novel zigzag-shaped buckling structure with all atoms being quasiplanar tetracoordinate, as favored by strong in-plane C2p-Ti3d bonding and synergetic out-of-plane electronic delocalization. This unique structure endows the sheet with high kinetic stability and anisotropic mechanical properties. Moreover, the TiC sheet displays orientation-dependent electronic properties derived from its special rectangular symmetry, with indirect band gap of ~0.2 eV and substantial ferromagnetism along its edges, thus promising for wide applications in nanoelectronics.
authors.affiliation: State Key Laboratory of Mechanics and Control of Mechanical Structures and Institute of Nano Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China. chuwazhang@nuaa.edu.cn
authors.forename: Zhuhua
authors.initials: Z
authors.lastname: Zhang
authors.forename: Xiaofei
authors.initials: X
authors.lastname: Liu
authors.forename: Boris I
authors.initials: BI
authors.lastname: Yakobson
authors.forename: Wanlin
authors.initials: W
authors.lastname: Guo