nd - m at . m tr l - sc i ] 3 0 N ov 1 99 9 Chlorine adsorption on the Cu ( 111 ) surface

N ov 1 99 9 Chlorine adsorption on the Cu ( 111 ) surface

We investigate the adsorption of chlorine on the Cu(111) surface with full potential all-electron density functional calculations. Chlorine adsorption at the fcc hollow sites is slightly preferred over that at the hcp hollow. The adsorption geometry is in excellent agreement with electron diffraction and ion scattering data. Adsorption energies and surface diffusion barriers are close to those ...

ar X iv : 1 10 8 . 05 81 v 3 [ co nd - m at . m tr l - sc i ] 2 9 N ov 2 01 1 Lattice dynamics of FeSb

N. Lazarević,1 M. M. Radonjić,2 D. Tanasković,2 Rongwei Hu∗,3 C. Petrovic,3 and Z. V. Popović1 Center for Solid State Physics and New Materials, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia Scientific Computing Laboratory, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia Condensed Matter Physics and Ma...

nd - m at . m tr l - sc i ] 5 N ov 1 99 9 Polarization induced by charged particles in real solids

We report a first-principles description of the induced wake potential and density in real solids. The linear-response formalism is used to obtain the potential and density induced by an external charge penetrating through an inhomogeneous periodic system. The linear dynamical response of the system is evaluated in the random-phase approximation, by including the full band structure of the soli...

ar X iv : c on d - m at / 9 80 60 82 v 1 [ co nd - m at . m tr l - sc i ] 5 J un 1 99 8 Magnetic Particles

واکنش اکسید ازت با تک بلور مس (111)

The adsorption of nit ric oxide on a Cu(1l1) surface has been studi ed using X-ray photoelectron (XPS) and high resolution e lectron energy loss spectroscopies (HREEL) in the tcmpenllurc range 80-410 K. Nitricoxide had no interacation with surface at room tempe rature, while it was adsorbed molecularly on un an nealed Cu surface and then dissociated to ni trogen and oxygen atoms. Exposure...