Zhitao Deng

Diffusivity control in molecule-on-metal systems using electric fields

The development of methods for controlling the motion and arrangement of molecules adsorbed on a metal surface would provide a powerful tool for the design of molecular electronic devices. Recently, metal phthalocyanines (MPc) have been extensively considered for use in such devices. Here we show that applied electric fields can be used to turn off the diffusivity of iron phthalocyanine (FePc) on Au(111) at fixed temperature, demonstrating a practical and direct method for controlling and potentially patterning FePc layers. Using scanning tunneling microscopy, we show that the diffusivity of FePc on Au(111) is a strong function of temperature and that applied electric fields can be used to retard or enhance molecular diffusion at fixed temperature. Using spin-dependent density-functional calculations, we then explore the origin of this effect, showing that applied fields modify both the molecule-surface binding energies and the molecular diffusion barriers through an interaction with the dipolar Fe-Au adsorption bond. On the basis of these results FePc on Au(111) is a promising candidate system for the development of adaptive molecular device structures.

Superconductivity above 33 K in (Ca1 − xNax)Fe2As2

We report the synthesis of (Ca₀.₃₃Na₀.₆₆)Fe₂As₂ showing a superconducting transition with T(c) above 33 K. Both dc magnetic susceptibility or specific heat measurements indicated the bulk superconductivity nature of the sample. We also have successfully grown single crystals of the (Ca₀.₃₃Na₀.₆₆)Fe₂As₂ superconductors. The single crystals exhibit sharp superconducting transitions with T(c) above 33 K. The effects of magnetic field on the superconducting transitions are studied, giving rise to high upper critical fields with H(c₂)(c)≈85 T and H(c₂)(ab)≈172 T, respectively. The anisotropy parameter was calculated to be around 2.

Polymorphism and chiral expression in two-dimensional subphthalocyanine crystals on Au(111).

The adsorption of subphthalocyanine (SubPc) on the Au(111) surface has been studied by scanning tunnelling microscopy (STM). Depending on coverage and deposition temperature, four different phases have been observed, of which two are coexisting. Spontaneous symmetry breaking inducing mirror domains is observed for all structures. Supramolecular chirality is expressed at different levels and length scale. Our detailed STM study allows conclusions on the origin of polymorphism due to changing coverage and temperature.

Temperature-pressure phase diagram of the superconducting iron pnictide LiFeP

Electrical-resistivity and magnetic-susceptibility measurements under hydrostatic pressure up to p approximate to 2.75 GPa have been performed on superconducting (SC) LiFeP. A broad SC region exists in the temperature-pressure (T-p) phase diagram. No indications for a spin-density-wave transition have been found, but an enhanced resistivity coefficient at low pressures hints at the presence of magnetic fluctuations. Our results show that the SC state in LiFeP is more robust than in the isostructural and isoelectronic LiFeAs. We suggest that this finding is related to the nearly regular [FeP(4)] tetrahedron in LiFeP.

Modifying the STM tip for the ' ultimate ' imaging of the Si(111)-7×7 surface and metal-supported molecules.

We report on high-resolution STM measurements with modified probe tips. First, both the rest atoms and adatoms of a Si(111)-7×7 surface are observed simultaneously. The visibility of rest atoms is dependent upon the sample bias voltage (less than -0.7 V) and is enhanced by sharpening the tip, which is rationalized by first-principles calculations. Second, a tip with a perylene molecule adsorbed at its apex is used to discriminate the molecular states and the metal states of the underlying Ag(110) surface, which is attributable to a mismatch between the energy levels of the functionalized tip and the adsorbates on silver. Lastly, high-resolution images of iron phthalocyanine (FePc) and zinc phthalocyanine (ZnPc) molecules on Au(111) are obtained by using an O(2)-terminated tip, and the images reveal rich intramolecular features arising from molecular orbitals that are not observed when using clean metallic tips.