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A study of the electronic and structural properties of iron phthalocyanine (FePc) molecules adsorbed on coinage metal surfaces Cu (100) and Cu (110) has been conducted by means of density functional theory calculations. The strength of the molecule--substrate interactions is interpreted in terms of the lateral adsorption geometry and the site specific electronic structure of themolecule. In the case of FePc on a (100)-oriented copper surface, the benzopyrrole leg is found to be oriented at an angle of 9° or 3° from the [01-1] substrate direction. Further, an upward bend in the molecular plane ranging from 7° to 10° is also observed; giving an almost buckled shape to the molecule. However, in the case of FePc on Cu (110), neither a bend nor a sizable rotation is observed. From the knowledge of the principle structural and electronic properties, it is concluded that FePc--Cu (100) interaction is relatively stronger than FePc--Cu (110) interaction, which is further evidenced by the charge transfer, work function changes, changes in the shape of the adsorbed molecular orbitals, and the orbital shifts. Furthermore, density of states analysis shows that the valence band level shift is surface- and site-dependent. [ABSTRACT FROM AUTHOR]

This paper proposes two simple and robust schemes to generate an atomic-ensemble Greenberger-Horne-Zeilinger-type (GHZ-type) entangled state via linear optics and single photon detection. These schemes are based on two-photon Hong-Ou-Mandel-type interference, therefore they are insensitive to the phase fluctuation. This advantage will make the realizations of these two schemes easier. One scheme can scale efficiently with the number of ensembles because of the used quantum memory. Both schemes are also robust to the noise and within the reach of current technology. [ABSTRACT FROM AUTHOR]

This paper carries out the density functional theory calculations to study the adsorbate-substrate interaction between tetracene and Cu substrates (Cu (110) and Cu (100) surface). On each of the surfaces, two kinds of geometry are calculated, namely 'flat-lying' mode and 'upright standing' mode. For 'flat-lying' geometry, the molecule is found to be aligned with its longer molecular axis along close-packed direction of the substrate surfaces. For 'upright standing' geometry, the long axis of tetracene is found to be parallel to the surface normal of the substrate on Cu (110) surface. However, tetracene appears as 'tilted' mode on Cu (100) surface. Structures with 'flat-lying' mode have much larger adsorption energy and charge transfer upon adsorption than that with 'upright standing' mode, indicating the preference of 'flat-lying' geometry on both Cu (110) and Cu (100) surface. [ABSTRACT FROM AUTHOR]

The formation of the Mn/PbTe (111) interface is investigated by photoemission spectrum. The core level behavior of Mn 2p is consistent with Mn substitutional adsorption during the initial Mn deposition, forming a (√3 × √3)R30°-Pb0.67Mn0.33Te phase of the second layer. Further deposition of Mn can cause metallic Mn islands to cover the substitutional substrate. Ultraviolet photoemission measurements show that the Fermi level is shifted into the conduction band, indicating Ohmic contact formation at the Mn/PbTe (111) interface. The valence band maximum associated with the Pb0.67Mn0.33Te layer is located at 1.27 eV below the Fermi level, and a schematic electronic structure of the Mn/PbTe (111) interface is given. The work function of the substituted substrate with Pb-covered Mn islands is determined to be 4.16 eV, in comparison with 4.35 eV for the Pb-covered substituted substrate and 3.95 eV for the pristine PbTe (111) surface. [ABSTRACT FROM AUTHOR]