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We use cryogenic scanning tunneling microscopy and spectroscopy and density-functional theory calculations to inspect the modulation of electronic states of aromatic molecules. The molecules are self-assembled on a Cu(111) surface forming molecular networks in which the molecules are in different contact configurations, including laterally coupled to different numbers of coordination bonds and vertically adsorbed at different heights above the substrate. We quantitatively analyze the molecular states and find that a delocalized empty molecular state is modulated by these multiple contacts in a cooperative manner: its energy is down shifted by ∼ 0.16 eV for each additional lateral contact and by ∼ 0.1 eV as the vertical molecule-surface distance is reduced by 0.1 Å in the physisorption regime. We also report that in a molecule-metal-molecule system the bridging metal can mediate the electronic states of the two molecules.

New paths were designed for the investigations of the β-tin→Imma→sh phase transitions in nanocrystalline Ge under conditions of hydrostatic stress. A second-order transition between the β-tin and Imma phases was identified at 66 GPa, and a first-order transition between the Imma and sh phases was determined at 90 GPa. Superconductivity was obtained up to 190 GPa using the acquired structural data in first-principles calculations. This provides evidence that the standard electron-phonon coupling mechanism is responsible for superconductivity in Ge, as evidenced by the good agreement between the calculations and existing experiments., (© 2011 American Physical Society)

We have fabricated atom-molecule contacts by attachment of single Cu atoms to terpyridine side groups of bis-terpyridine tetra-phenyl ethylene molecules on a Cu(111) surface. By means of scanning tunneling microscopy, spectroscopy, and density functional calculations, we have found that, due to the localization characteristics of molecular orbitals, the Cu-atom contact modifies the state localized at the terpyridine side group which is in contact with the Cu atom but does not affect the states localized at other parts of the molecule. These results illustrate the contact effects at individual orbitals and offer possibilities to manipulate orbital alignments within molecules.