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The multilayer relaxation of the stepped Cu(5 1 1) surface has been studied by quantitative low-energy electron diffraction and analyzed using the CLEED program package. Relaxations with respect to the bulk interlayer spacing of 0.6934 Å are -9.5%, -10.4%, +8.2% and -1.8% for the first four interlayer spacings, respectively (negative sign corresponds to… (More)

A thin film of copper on the fivefold surface of Al-Pd-Mn forms a structure that is uniaxially commensurate with the aperiodic structure of the substrate. This structure has been analyzed using low-energy electron diffraction and is found to consist of a vicinal surface of a body-centered tetragonal (bct) (100) structure. This bct(100) structure has lattice… (More)

- Fiona McBride, George R Darling, Katariina Pussi, Andrew Hodgson
- Physical review letters
- 2011

Recent studies show that structures based on the traditional "icelike" water bilayer are not stable on flat transition metal surfaces and, instead, more complex wetting layers are formed. Here we show that an ordered bilayer can be formed on a SnPt(111) alloy template and determine the structure of the water layer by low energy electron diffraction. Close… (More)

The geometry of adsorbed C(60) influences its collective properties. We report the first dynamical low-energy electron diffraction study to determine the geometry of a C(60) monolayer, Ag(111)-(2 square root of 3 x 2 square root of 3) 30 degrees -C(60), and related density functional theory calculations. The stable monolayer has C(60) molecules in vacancies… (More)

- Y-T Huang, R D Diehl, A Pulkkinen, K Pussi
- Journal of physics. Condensed matter : an…
- 2015

Alkali metal adsorption systems provide important models for chemisorption. Low-energy electron diffraction experiments and density functional theory calculations were carried out for the adsorption of potassium on Pb(1 0 0). The stable structure for all submonolayer coverages was found to be the commensurate c(2 × 2) structure, with potassium atoms… (More)

- M Lahti, K Pussi, J A Smerdon, K M Young, H R Sharma, R McGrath
- The Journal of chemical physics
- 2016

Surface ordering of pentacene molecules adsorbed on an aperiodic Cu surface has been studied with density functional theory (DFT) and scanning tunnelling microscopy as a function of coverage. Below 0.73 ML (5.3 × 1013 molecules cm-2), the adsorbate structure is row-like with the molecular axes aligned with the rows in the Cu structure. Between this coverage… (More)

- Andreas Mayer, Hanna Salopaasi, Katariina Pussi, Renee D. Diehl
- Computer Physics Communications
- 2012

- P H Chen, K Avchachov, K Nordlund, K Pussi
- The Journal of chemical physics
- 2013

Due to the peculiar nature of the atomic order in quasicrystals, examining phase transitions in this class of materials is of particular interest. Energetic particle irradiation can provide a way to modify the structure locally in a quasicrystal. To examine irradiation-induced phase transitions in quasicrystals on the atomic scale, we have carried out… (More)

- I M McLeod, V R Dhanak, M Lahti, A Matilainen, K Pussi, K H L Zhang
- Journal of physics. Condensed matter : an…
- 2011

The deposition of 1/3 of a monolayer of Pb on Ag(111) leads to the formation of PbAg(2) surface alloy with a long range ordered (√3 × √3)R30° superstructure. A detailed analysis of this structure using low-energy electron diffraction (LEED) I-V measurements together with density functional theory (DFT) calculations is presented. We find strong correlation… (More)

- K H L Zhang, I M McLeod, M Lahti, K Pussi, V R Dhanak
- Journal of physics. Condensed matter : an…
- 2012

The growth of Bi on Ag(111) induces different surface structures, including (√3 × √3)R30° surface alloy, Bi-(p × √3) overlayer and Bi(110) thin film, as a function of increasing Bi coverage. Here we report the study of electronic states of these structures using core level and valence band photoemission spectroscopy at room temperature. The sp-derived… (More)