Aki Pulkkinen

E-mail: Aki.Pulkkinen@lut.fi
Mobile phone: +358 50 323 9021, 029 446 3498

Current Organisation
Physics (Superior organisation: LUT School of Engineering Science)

Research Interest
Processes on solid surfaces play an important role in technological applications. Adsorption on surfaces is a critical step in several processes, including heterogeneous catalysis and semiconductor device fabrication.

In terms of fundamental surface science, it is essential to understand the interactions of adsorbates with surfaces. This can be achieved theoretically using computational methods, and experimentally by electron diffraction methods. These methods together provide a powerful tool to explain processes at surfaces on an atomic level.

We study surface systems using ab initio computational methods based on the Kohn-Sham formulation of the density functional theory (DFT) within the generalized gradient approximation and the projector augmented wave method, as implemented in the Vienna Ab-initio Simulation Package (VASP).

Our group combines DFT calculations with low-energy electron diffraction (LEED) simulations and measurements, allowing us to compare the theoretical DFT results to experimental LEED data.

Publications
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Ab initio description of the Bi2Sr2CaCu2O8+δ electronic structure (2020)
A1 Journal article (refereed), original research
Nokelainen Johannes, Lane Christopher, Markiewicz, et al.
Physical review B: Condensed matter and materials physics
Coulomb correlation in noncollinear antiferromagnetic α-Mn (2020)
A1 Journal article (refereed), original research
Pulkkinen Aki, Barbiellini Bernardo, Nokelainen Johannes, et al.
Physical Review B
Electronic structure beyond the generalized gradient approximation for Ni2MnGa (2020)
A1 Journal article (refereed), original research
Baigutlin Danil R., Sokolovskiy Vladimir V., Miroshkina Olga N., et al.
Physical Review B
Examining the surface phase diagram of IrTe2 with photoemission (2020)
A1 Journal article (refereed), original research
Rumo Maxime, Nicholson Christopher, Pulkkinen Aki, et al.
Physical Review B
Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl (2020)
A1 Journal article (refereed), original research
Miroshkina Olga N., Baigutlin Danil R., Sokolovskiy Vladimir V., et al.
Journal of Applied Physics
Superconducting and antiferromagnetic properties of dual-phase V3Ga (2020)
A1 Journal article (refereed), original research
Jamer Michelle E., Wilfong Brandon, Buchelnikov Vasiliy D., et al.
Applied Physics Letters
Correlation effects in the ground state of Ni-(Co)-Mn-Sn Heusler compounds (2019)
A1 Journal article (refereed), original research
Barbiellini Bernardo, Pulkkinen Aki, Nokelainen Johannes, et al.
MRS advances
Correlation effects on ground-state properties of ternary Heusler alloys: First-principles study (2019)
A1 Journal article (refereed), original research
Buchelnikov V. D., Sokolovskiy V. V., Miroshkina O. N., et al.
Physical Review B
First-principles study of the impact of grain boundary formation in the cathode material LiFePO4 (2019)
A1 Journal article (refereed), original research
Kuriplach Jan, Pulkkinen Aki, Barbiellini Bernardo
Condensed Matter
Atomic oxygen adsorption on Pb(1 0 0) (2017)
A1 Journal article (refereed), original research
Pulkkinen Aki, Pussi Katariina
European Physical Journal B: Condensed Matter and Complex Systems




Last updated on 2020-30-04 at 05:03