Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

Electronic structure of NPB and BCP molecules probed by x-ray emission spectroscopy.

Soft x-ray absorption and emission spectroscopies have been employed to investigate the electronic structure and chemical bonding of two prototypical molecules, N,N(')-bis-(1-naphthyl)-N,N(')-diphenyl-1,1(')-biphenyl-4,4(')-diamine (NPB) and bathocuproine (BCP), which are frequently chosen because of their hole-transporting and hole-blocking properties, respectively. The resulting resonant C Kalpha x-ray emission spectra of these materials reveal different spectral features depending on the resonant excitation energy. According to the N absorption and emission spectra, the contribution of N atoms to the highest occupied and lowest unoccupied molecular orbitals is different for in NPB and in BCP. Detailed knowledge of these materials will allow tailoring charge transport properties of organic devices in order to develop high performance organic light-emitting diodes and photovoltaic cells.

Structural determination of the low-coverage phase of Al on Si(001) surface.

The atomic structure of Al layer on Si(001)-(2 x 1) surface has been studied by coaxial impact collision ion scattering spectroscopy. When 0.5 monolayer (ML) of Al atoms are adsorbed on Si(001) at room temperature, it is found that Al adatoms are dimerized and Al ad-dimers are oriented parallel to the underlying Si dimers at the position of centering T3 site with a height of 1.02 Angstroms from the first layer of Si(001). The bond length of the Al dimer is 2.67 Angstroms. With increasing Al coverage up to one ML, Al ad-dimers still occupied near T3 site and the next favorable site is near HH site.

Structural analysis of the reconstructed Si(001)-C surface.

The atomic structure of reconstructed Si(001)c(4 x 4)-C surface has been studied by coaxial impact collision ion scattering spectroscopy. When the 100L of ethylene (C(2)H(4)) molecules have been exposed on Si(001)-(2 x 1) surface at 700 degrees C, it is found that C atoms cause the ordering of missing Si dimer defects and occupy the fourth layer of Si(001) directly below the bridge site. Our results provide the support for the previous model in which a missing dimer structure is accompanied by C incorporation into the subsurface.

Novel electronic structure of inhomogeneous quantum wires on a Si surface.

A one-dimensional system of Si(111)-(5 x 2)-Au is explored using scanning tunneling microscopy and spectroscopy. The chain of Si adatoms called bright protrusions (BP's) is found to be semiconducting with an evanescent state in the gap, which originates from adjoining metallic BP-free segments. A quantitative analysis shows that the evanescent state decays in inverse-Gaussian form, leading to an appearance of a parabolic BP chain, and scales to its chain length. Spatial decay of the state suggests a quadratic band bending and the existence of a Schottky-like potential barrier at the interface driven by charge transfer.

Spontaneous N incorporation onto a Si(100) surface.

Initial nitridation of the Si(100) surface is investigated using photoemission, ion-scattering and ab initio calculations. After dissociation of NO or NH3, nitrogen atoms are found to spontaneously form a stable, highly coordinated N[triple bond]Si(3) species even at room temperature. The majority of the N species is incorporated into the subsurface Si layers occupying an interstitial site, whose atomic structure and unique bonding mechanism is clarified through ab initio calculations. This unusual adsorption behavior elucidates the atomistic mechanism of initial silicon nitride formation on the surface and has important implication on the N-rich layer formation at the SiO(x)N(y)/Si interface.

Realization of a large magnetic moment in the ferromagnetic CoPt bulk phase.

Changes in the magnetic moment and other physical properties of a CoPt alloy induced by a new type of ion-beam mixing in an external magnetic field were investigated. This process induces the formation of a metastable phase through extremely rapid quenching from well above the ordering temperature. The measured magnetic moment per Co atom was 2.63 mu(B), larger by 55% and 35% than that of the bulk Co and stable CoPt film, respectively, which is one of the highest values ever observed in the ferromagnetic bulk phase.