At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbon. The critical electric field decreases with the increase of the ribbon width to induce the half-metallicity. Both the spin polarization and half-metallicity are removed when the edge state electrons fully transferred from one side to the other under very strong electric field. The electric field range under which ZGNR remains half-metallic increases with the ribbon width. Our study demonstrates a rich field-induced spin polarization behavior, which may lead to some important applications in spinstronics.

We demonstrate in this joint experimental and theoretical study how one can alter electron transport behavior of a single melamine molecule adsorbed on a Cu (100) surface by performing a sequence of elegantly devised and well-controlled single molecular chemical processes. It is found that with a dehydrogenation reaction, the melamine molecule becomes firmly bonded onto the Cu surface and acts as a normal conductor controlled by elastic electron tunneling. A current-induced hydrogen tautomerization process results in an asymmetric melamine tautomer, which in turn leads to a significant rectifying effect. Furthermore, by switching on inelastic multielectron scattering processes, mechanical oscillations of an N-H bond between two configurations of the asymmetric tautomer can be triggered with tuneable frequency. Collectively, this designed molecule exhibits rectifying and switching functions simultaneously over a wide range of external voltage.hydrogen tautomerization ͉ melamine molecules ͉ rectifying effect ͉ switching property E lectron transport is a fundamental process that controls physical properties and chemical activities of molecular and biological systems. Over the years, different electron transport behaviors of a variety of molecules have been observed, and much effort has been made to elucidate the underlying mechanisms (1-12). Despite of these recent advances, it remains a great challenge to actively control the electron transport in a molecule and to systematically change its behavior from one type to another since this requires not only precise control of molecular structure, but also accurate activation of different electron tunneling processes. Controlling electron transport at the molecular level has important consequences for many applications, such as molecular electronics (13-26), biosensors (27), and solar cells (28,29). For certain molecules, change of electron transport properties could take place due to their specific response to the change of molecular conformation or orientation (19-25), chemical reactions (26), and tautomerization (18). The latter experiment (18) has attracted considerable attention owning to the facts that the switching process involved does not result in drastic molecular conformation changes as often occurring in mechanical molecular switches induced by cis-trans isomerization of azobenzene (23-25), making the process potentially more relevant to applications in memory devices.Although many studies have been conducted over the years, only a limited number of special molecules can be chosen for such experiments. In this joint experimental and theoretical study, we demonstrate the possibility of changing the electron transport behavior of an ordinary molecule, melamine, with the help of surface chemistry and scanning tunneling microscope (STM) in a controllable manner. It is shown that the involvement of a dehydrogenation process can make the molecule standing on a Cu (100) surface and behaving like a conducting molecule. By applying a high-voltage pulse, the energeti...

Anatase Ti 0.96 Co 0.04 O 2 films were grown epitaxially on SrTiO 3 (001) substrates by using plused laser deposition with in-situ reflection high-energy electron diffraction. The oxygen partial pressure, P O2 , during the growth was systematically varied. As P O2 decreased, the growth behavior was changed from a 2-dimensional layer-by-layer-like growth to a 3-dimensional island-like one, which resulted in an increase in the saturation magnetization. These structural and magnetic changes were explained in terms of the formation of cobalt clusters whose existence was proved by transmission-electron-microscopie studies. Our work clearly indicates that the cobalt clustering will cause room-temperature ferromagnetism in the Co-doped TiO 2 films.

We present the measurements for the diffusion of bridging oxygen vacancy (OV) crossover Ti rows via OV pairs (OVPs). Using a high-resolution scanning tunneling microscope (STM), we show that the OVs can be moved along the bridging oxygen rows driven by the STM tip at voltages higher than 3.0 V on TiO(2)(110)-(1x1) surface. It is found that the combination of OVPs leads to the formation of OVPs, which can diffuse crossover Ti rows under the mediation of OVs in adjacent bridging oxygen rows. The deduced diffusion activation energy for the diffusive OVPs from experiments is in agreement with first-principles calculations. The reaction activation energy of the OVPs with O(2) is lower than that of the OVs by 82 meV.