Core level photoemission line shape selection: Atomic adsorbates on iron

Core-level photoemission study of Ga12xMnxAs

We have studied the electronic structure of Mn impurities in GaAs by Mn 2p core-level photoemission spectroscopy. From cluster-model analysis assuming the neutral (Mn) or negatively ionized (Mn) ground state, electronic structure parameters have been obtained. In either case, the Mn d electron number is evaluated to be ;5 using the obtained parameters, meaning that the neutral Mn impurity, if i...

Thermodynamic Interpretation of Core-level Binding Energies in Adsorbates

Using the “equivalent cores” approximation in combination with a Born-Haber cycle we calculate core-level binding energies for adsorbates on metal surfaces. Since accurate thermodynamic data are required for the molecule both in the initial and in the final state, we restrict our discussion to adsorbed carbon monoxide, surface species that contain nitrogen and the halogens bromine and iodine. R...

Magnetic dichroism in core-level photoemission from Gd(0001)

Photoemission core-level shifts reveal the thiolate-Au(111) interface

The nature of the thiolate/Au 111 interface is a long-standing puzzle. It has been suggested that thiolates drive surface reconstruction, however, a consensus regarding the adsorption configuration is missing. Herein, the density-functional theory is used to evaluate surface core-level shifts SCLSs for methyl thiolates on Au 111 assuming a representative set of different surface reconstructions...

Contrast reversal and shape changes of atomic adsorbates measured with scanning tunneling microscopy.

Systematic, quantitative comparisons between scanning tunneling microscopy (STM) experiments and first principles simulations of O(2 x 2)/Ru(0001) have been performed. The shape of the atomic adsorbates in the images depends strongly on the tunneling resistance and changes reversibly from circular (high resistance) to triangular (low resistance). In addition, after adsorption of oxygen on the S...