Jochen Rohrer

Showing 13 publications

2011

Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth

Jochen Rohrer, Per Hyldgaard
Computer Physics Communications. Vol. 182 (9), p. 1814-1818
Journal article
2011

Stacking and band structure of van der Waals bonded graphane multilayers

Jochen Rohrer, Per Hyldgaard
Physical Review B - Condensed Matter and Materials Physics. Vol. 83 (16)
Journal article
2010

Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina

Jochen Rohrer, Carlo Ruberto, Per Hyldgaard
Journal of Physics Condensed Matter. Vol. 22 (1), p. 015004-
Journal article
2010

Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide

Jochen Rohrer, Per Hyldgaard
Journal of Physics Condensed Matter. Vol. 22 (47), p. 472001-
Journal article
2010

Ab initio thermodynamics of deposition growth: Surface terminations of TiC(111) and TiN(111) grown by chemical vapor deposition

Jochen Rohrer, Per Hyldgaard
Physical Review B - Condensed Matter and Materials Physics. Vol. 82 (4)
Journal article
2010

Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations

Kristian Berland, Jochen Rohrer, A Kelkkanen et al
SNIC progress report 08/09. Swedish national infrastructure for computing.
Book chapter
2008

Coarse-grained model for growth of α- and k-Al2O3 on TiC and TiN(111): thin alumina films from density-functional calculations

Jochen Rohrer, Carlo Ruberto, Per Hyldgaard
Journal of Physics: Conference Series 100 (082010)
Paper in proceedings
2007

TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings

Sead Canovic, Sakari Ruppi, Jochen Rohrer et al
Surface and Coatings Technology. Vol. 202 (3), p. 522-531
Journal article

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