National Science Center
Investigation of structural, dynamical, and magnetic properties of nanoalloys, multilayers, thin films, and surfaces containing transition-metal and rare-earth elements by means of the first principles computational methods.
Project No. 2011/01/M/ST3/00738
Leader of the project: Assoc. Prof. Przemysław Piekarz
Time: 2011 - 2014
Tasks:
- investigation of vibrational, thermodynamial, and magnetic properties of nanoparticles containing transition metals
- studies of magnetic and lattice dynamics properties of Fe-Pt multilayers
- Influence of the crystal structure on magnetism and phonons in FeO/Pt(111) thin film
- determination of magnetoelectric coupling at the multiferroic interface Fe/BaTiO3
- investigation of phonon properties in the epitaxial rare-earth oxides and nanostructures.
Collaboration:
- European Synchrotron Radiation Facility, Grenoble, France
- Fakultät für Physik, Universität Duisburg-Essen, Duisburg, Germany
- Instituut voor Kern- en Stralingsfysica and INPAC, K.U.Leuven, Belgium
- Institut des Nanosciences de Paris, Paris, France
- Karlsruhe Institute of Technology, Institute for Synchrotron Radiation, Germany.
Publications:
- Urszula D. Wdowik, Przemysław Piekarz, Krzysztof Parlinski, Andrzej M. Oleś and Józef Korecki, Strong Effects of Cation Vacancies on the Electronic and Dynamical Properties of FeO, Phys. Rev. B87 (2013) 121106(R) (DOI:10.1103/PhysRevB.87.121106)
- Moritz Hoesch, Przemysław Piekarz, Alexey Bosak, Mathieu Le Tacon, Michael Krisch, Andrzej Kozłowski, Andrzej M. Oleś, and Krzysztof Parlinski, Anharmonicity due to Electron-Phonon Coupling in Magnetite, Phys. Rev. Lett. 110 (2013) 207204 (DOI:10.1103/PhysRevLett.110.207204)
- Olga Bauder, Przemysław Piekarz, Alessandro Barla, Ilya Sergueev, Rudolf Ruffer, Jan Łażewski, Tilo Baumbach, Krzysztof Parlinski, and Svetoslav Stankov, Lattice Dynamics of the Rare-Earth Element Samarium, Phys. Rev. B88 (2013) 224303 (DOI:10.1103/PhysRevB.88.224303)
- Alexey Bosak, Dmitry Chernyshov, Moritz Hoesch, Przemysław Piekarz, Mathieu Le Tacon, Michael Krisch, Andrzej Kozłowski, Andrzej M. Oleś, and Krzysztof Parlinski, Short-Range Correlations in Magnetite above the Verwey Temperature, Phys. Rev. X4 (2014) 011040 (DOI:10.1103/PhysRevX.4.011040)
- Mariana Derzsi, Przemysław Piekarz, and Wojciech Grochala, Structures of Late Transition Metal Monoxides from Jahn-Teller Instabilities in the Rock Salt Lattice, Phys. Rev. Lett. 113 (2014) 025505 ((DOI:10.1103/PhysRevLett.113.025505)
- Urszula D. Wdowik, Przemysław Piekarz, Paweł T. Jochym, Krzysztof Parlinski, and Andrzej M. Oleś, Influence of isolated and clustered defects on electronic and dielectric properties of wustite, Phys. Rev. B91 (2015) 195111 (http://dx.doi.org/10.1103/PhysRevB.91.195111) arXiv:1501.04912
- M. Sternik, S. Couet, J. Łażewski, P. T. Jochym, K. Parlinski, A. Vantomme, K. Temst, and P. Piekarz, Dynamical properties of ordered Fe-Pt alloys, J. Alloys Comp. 651 (2015) 528 (DOI: http://dx.doi.org/10.1016/j.jallcom.2015.08.097) arXiv:1501.05550
- Paweł T. Jochym, Jan Łażewski, Małgorzata Sternik and Przemysław Piekarz, Dynamics and stability of icosahedral FePt nanoparticles, Phys. Chem. Chem. Phys. 17 (2015) 28096 (DOI: 10.1039/C5CP00277J) arXiv:1501.07143
Talks:
- Przemysław Piekarz, Ab initio studies on vibrational and thermodynamical properties of FePt nanoparticles, COST MP 0903 NANOALLOY WG1 discussion meeting, Brno, Czech Republic, April 2012
- Przemysław Piekarz, Ab initio studies of lattice dynamics in rare earths, Karlsruhe Institute of Technology, Germany, May 2012
- Przemysław Piekarz, Effect of disorder and reduced dimensionality on phonons in FeO - ab initio and nuclear inelastic scattering studies, Karlsruhe Institute of Technology, Germany, July 2013
- A. Seiler, O. Bauder, S. Ibrahimkutty, P. Piekarz, D. Merkel, R. Rüffer, T. Baumbach, M. Fiederle and S. Stankov, Lattice dynamics of epitaxial EuxSi1-x thin films and nanostructures, International Conference on the Applications of the Mossbauer Effect, Opatija Croatia, 1-6 September, 2013
- O. Bauder, P. Piekarz, A. Seiler, S. Ibrahimkutty, D.G. Merkel, M. Zajac, R. Rüffer, T. Baumbach, K. Parlinski and S. Stankov, Lattice dynamics and hyperfine interactions in FCC europium island, International Conference on the Applications of the Mossbauer Effect, Opatija Croatia, 1-6 September, 2013
- P. Piekarz, Verwey transition in magnetite, XLII Zjazd Fizyków Polskich, Poznań, 8-13 September 2013
- P. Piekarz, S. Stankov, O. Bauder, J. Łażewski, K. Parlinski, R. Rüffer, Lattice dynamics in the rare-earth crystals and nanostructures, 34thInternational Symposium on Dynamical Properties of Solids – dyProSo, University of Vienna, 15-19 September, 2013
- Paweł T. Jochym, Electrostatic barriers in 4H SiC with edge defects, International Workshop: Physical Insights into Material Properties Using Supercomputer Power, Technical University of Ostrava, Czech Republic, 20 September, 2013
- Przemysław Piekarz, Lattice dynamics in rare earths – nuclear inelastic scattering and ab initio studies, International Workshop: Physical Insights into Material Properties Using Supercomputer Power, Technical University of Ostrava, Czech Republic, 20 September, 2013
- Urszula D. Wdowik, The effect of defects on the electronic and dynamical properties of wustite, International Workshop: Physical Insights into Material Properties Using Supercomputer Power, Technical University of Ostrava, Czech Republic, 20 September, 2013
- Paweł T. Jochym, Dynamics of FePt nanoparticles from DFT calculations, COST Action MP0903 NANOALLOY Final Conference,Santa Margherita Ligure, Italy, 5-9 April 2014
- Przemysław Piekarz, Anharmonicity and short-range correlations above the Verwey temperature in magnetite, Quantum Phenomena in Strongly Correlated Electrons, Cracow, Poland 15-18 June 2014
- Urszula D. Wdowik, Strong effect of defects on the electronic and dynamical propertie of FeO, Ψ-k Workshop on Strong electron correlation effects in complex d- and f-based magnetic materials for technological applications, Prague, Czech Republik 30 June - 2 July 2014
- Przemysław Piekarz, Strong effect of iron vacancies on electronic, dielectric, and dynamical properties of FeO, 4th Workshop on ab initio phonon calculations, Cracow, Poland, 3-6 December 2014
- Svetoslav Stankov, Phonons in exotic europium nanophases - disentangling oxidation, strain and surface phenomena, 4th Workshop on ab initio phonon calculations, Cracow, Poland, 3-6 December 2014