Research interests:

Electronic structure on surfaces and interfaces
Ab-initio calculations of basic characteristics of systems (work function, electronic bands, charge redistribution, surface relaxation, ...) via FPLAPW. Interpretation of LEED, ARUPS, STM experiments. Magnetic moments on the surface, magnetic surface anisotropy.

Magnetic semiconductors
Electronic and transport behaviour of diluted magnetic semiconductors. Compensation property of different impurities. Ground state of the system, spin correlations etc.

Surface diffusion
Assessment of the effects of complex surface geometries on the mobility of individual atoms in the context of epitaxial growth modelling. Molecular dynamics and molecular statics with semi-empirical potentials, e.g. evaluation of diffusion barriers for islands near steps, mouds, large pits etc.

University courses:

Selected recent publications

1. F. Maca, J. Kudrnovsky, V. Drchal, K. Carva, P. Balaz, I. Turek: Physical properties of the tetragonal CuMnAs: A first-principles study, Phys. Rev. B 96 (2017) 094406.
2. F. Maca, J. Kudrnovsky, V. Drchal and I. Turek: Defects and magnetic structure of CuMnSb, JPCS 903 (2017) 012034.
3. V. Zelezny, D. Chvostova, D. Simek, F. Maca, J. Masek,N. Setter and Yu. Hong Huang: The variation of PbTiO3 bandgap at ferroelectric phase transition, J. Phys. Cond. Matt. 28 (2016) 025501, p1-8.
4. K. Carva, J. Kudrnovsky, F. Maca, V. Drchal, I. Turek, P. Balaz, V. Tkac, V. Holy, V. Sechovsky, J. Honolka: Electronic and transport properties of the Mn-doped topological insulator Bi2Te3: A first principle study, Phys. Rev. B 93 (2016) 214409, p1-8.
5. F. Maca, J. Kudrnovsky, V. Drchal, I. Turek and O. Stelmakhovych, P. Beran, A. Llobet, X. Marti: Defect-induced magnetic structure of CuMnSb, Phys. Rev. B 94 (2016) 094407, p1-9.
6. A. L. Kozub, A. B. Shick, F. Maca, J. Kolorenc, and A. I. Lichtenstein: DFT+U and DFT+ED calculations for Sm and Nd adatoms on free-standing graphene, Phys. Rev. B 94 (2016) 125113, p1-7.
7. A. B. Shick, C. S. Hong, F. Maca, and A. I. Lichtenstein: Magnetic anisotropy energy and effective exchange interactions in Co intercalated graphene on Ir(111), J. Phys. Cond. Matt. 26 (2014) 476003, p1-6.
8. H. Vita, St. Bottcher, P. Leicht, K. Horn, A. B. Shick, and F. Maca: Electronic structure and magnetic properties of cobalt intercalated in graphene on Ir(111), Phys. Rev. B 90 (2014) 165432, p1-10.
9. P. Wadley, V. Novák, R. P. Campion, C. Rinaldi, X. Martí, H. Reichlová, J. Zelezný, J. Gazquez, M. A. Roldan, M. Varela, D. Khalyavin, S. Langridge, D. Kriegner, F. Máca, J. Masek, V. Holý, A. W. Rushforth, K. W. Edmonds, B. L. Gallagher, C. T. Foxon, J. Wunderlich, and T. Jungwirth: Tetragonal phase of epitaxial room-temperature antiferromagnet CuMnAs, Nature Communications 4 (2013) 2322(1) - 2322(6).
10. F. Máca, J. Kudrnovský, V. Drchal and J. Redinger: The influence of oxygen and hydrogen adsorption on the magnetic structure of the ultrathin iron film on the Ir(001) surface, Phys. Rev. B 88 (2013) 045423.