output
20042026
most citedQuantitative characterization of surface topography using spectral analysis

507 citations

Showing 2008Show all

5 papers · 1 filter

cond-mat.mtrl-sci2008★ 19 cited

Modelling the onset of oxide formation on metal surfaces from first principles

Lucio Colombi Ciacchi

The formation of ultrathin oxide layers on metal surfaces is a non-thermally-activated process which takes place spontaneously at very low temperatures within nanoseconds. This pap…

cond-mat.mtrl-sci2008★ 10 cited

Stress Development and Impurity Segregation during Oxidation of the Si(100) Surface

Daniel J. Cole, Mike C. Payne, Lucio Colombi Ciacchi

We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on densit…

cond-mat.mtrl-sci2008★ 86 cited

Development of a Classical Force Field for the Oxidised Si Surface: Application to Hydrophilic Wafer Bonding

Daniel J. Cole, Mike C. Payne, Gabor Csanyi +2

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidised Si surface in contact with water solutions, based on the com…

cond-mat.mtrl-sci2008★ 37 cited

Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces

Arezoo Dianat, Janina Zimmermann, Nicola Seriani +3

The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles…

cond-mat.mes-hall2008★ 137 cited

Vibrational modes and low-temperature thermal properties of graphene and carbon nanotubes: A minimal force-constant model

J. Zimmermann, P. Pavone, G. Cuniberti

We present a phenomenological force-constant model developed for the description of lattice dynamics of sp2 hybridized carbon networks. Within this model approach, we introduce a n…