Matti Ropo
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Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems
M Ropo, K Kokko, L Vitos
Physical Review B 77 (19), 195445, 2008
High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element
E Airiskallio, E Nurmi, MH Heinonen, IJ Väyrynen, K Kokko, M Ropo, ...
Corrosion Science 52 (10), 3394-3404, 2010
Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory
AC Ihrig, J Wieferink, IY Zhang, M Ropo, X Ren, P Rinke, M Scheffler, ...
New Journal of Physics 17 (9), 093020, 2015
Segregation at the PdAg (111) surface: Electronic structure calculations
M Ropo, K Kokko, L Vitos, J Kollár
Physical Review B 71 (4), 045411, 2005
Atomic and electronic structures of an extremely fragile liquid
S Kohara, J Akola, L Patrikeev, M Ropo, K Ohara, M Itou, A Fujiwara, ...
Nature communications 5, 5892, 2014
Theoretical evidence of the compositional threshold behavior of FeCr surfaces
M Ropo, K Kokko, MPJ Punkkinen, S Hogmark, J Kollár, B Johansson, ...
Physical Review B 76 (22), 220401, 2007
First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids
M Ropo, M Schneider, C Baldauf, V Blum
Scientific data 3, 160009, 2016
Anomalous Bismuth-Stabilized () Reconstructions on GaAs(100) and InP(100) Surfaces
P Laukkanen, MPJ Punkkinen, HP Komsa, M Ahola-Tuomi, K Kokko, ...
Physical review letters 100 (8), 086101, 2008
Ab initio study of the elastic anomalies in Pd-Ag alloys
EK Delczeg-Czirjak, L Delczeg, M Ropo, K Kokko, MPJ Punkkinen, ...
Physical Review B 79 (8), 085107, 2009
Bismuth-stabilized and reconstructions on GaAs(100) surfaces: Combined first-principles, photoemission, and scanning tunneling microscopy study
MPJ Punkkinen, P Laukkanen, HP Komsa, M Ahola-Tuomi, N Räsänen, ...
Physical Review B 78 (19), 195304, 2008
The chemical potential in surface segregation calculations: AgPd alloys
M Ropo, K Kokko, L Vitos, J Kollár, B Johansson
Surface science 600 (4), 904-913, 2006
Coexisting honeycomb and kagome characteristics in the electronic band structure of molecular graphene
S Paavilainen, M Ropo, J Nieminen, J Akola, E Räsänen
Nano letters 16 (6), 3519-3523, 2016
Surface core-level shifts of from first principles
MPJ Punkkinen, P Laukkanen, K Kokko, M Ropo, M Ahola-Tuomi, ...
Physical Review B 76 (11), 115334, 2007
First-principles atomistic study of surfaces of Fe-rich Fe–Cr
M Ropo, K Kokko, E Airiskallio, MPJ Punkkinen, S Hogmark, J Kollár, ...
Journal of Physics: Condensed Matter 23 (26), 265004, 2011
Bismuth-stabilized reconstruction on a InSb(100) substrate: Violation of the electron counting model
P Laukkanen, MPJ Punkkinen, N Räsänen, M Ahola-Tuomi, M Kuzmin, ...
Physical Review B 81 (3), 035310, 2010
Ab initio study of the geometric dependence of surface segregation
M Ropo
Physical Review B 74 (19), 195401, 2006
Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead
M Ropo, V Blum, C Baldauf
Scientific reports 6, 35772, 2016
Segregation, precipitation, and phase separation in Fe-Cr alloys
A Kuronen, S Granroth, MH Heinonen, RE Perälä, T Kilpi, P Laukkanen, ...
Physical Review B 92 (21), 214113, 2015
Segregation, precipitation, and\alpha-\alpha'phase separation in Fe-Cr alloys: a multi-scale modelling approach
A Kuronen, MH Heinonen, S Granroth, RE Perälä, T Kilpi, P Laukkanen, ...
arXiv preprint arXiv:1504.07576, 2015
Calculation of surface core-level shifts within complete screening: Problems with pseudohydrogenated slabs
MPJ Punkkinen, K Kokko, L Vitos, P Laukkanen, E Airiskallio, M Ropo, ...
Physical Review B 77 (24), 245302, 2008
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