  We present a first-principles study of the atomic, electronic, and magnetic
properties of two-dimensional (2D), single and bilayer ZnO in honeycomb
structure and its armchair and zigzag nanoribbons. In order to reveal the
dimensionality effects, our study includes also bulk ZnO in wurtzite,
zincblende, and hexagonal structures. The stability of 2D ZnO, its nanoribbons
and flakes are analyzed by phonon frequency, as well as by finite temperature
ab initio molecular-dynamics calculations. 2D ZnO in honeycomb structure and
its armchair nanoribbons are nonmagnetic semiconductors but acquire net
magnetic moment upon the creation of zinc-vacancy defect. Zigzag ZnO
nanoribbons are ferromagnetic metals with spins localized at the oxygen atoms
at the edges and have high spin polarization at the Fermi level. However, they
change to nonmagnetic metal upon termination of their edges with hydrogen
atoms. From the phonon calculations, the fourth acoustical mode specified as
twisting mode is also revealed for armchair nanoribbon. Under tensile stress
the nanoribbons are deformed elastically maintaining honeycomblike structure
but yield at high strains. Beyond yielding point honeycomblike structure
undergo a structural change and deform plastically by forming large polygons.
The variation in the electronic and magnetic properties of these nanoribbons
have been examined under strain. It appears that plastically deformed
nanoribbons may offer a new class of materials with diverse properties.
