Krisztián Palotás
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ResearcherID: C-5338-2009
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Submitted Manuscripts
  1. F. Liu, Y. Liu, F. Zheng, L. Wang, K. Palotás, H. Lin, and Y. Li:
    "Single Mo atom embedded in the two-dimensional phthalocyanine: A promising active and cost-effective single atom catalyst for nitrogen reduction reaction"
    submitted (2019).
  2. L. Schneider, M. Steinbrecher, L. Rózsa, J. Bouaziz, K. Palotás, M. dos Santos Dias, S. Lounis, J. Wiebe, and R. Wiesendanger:
    "Magnetism and in-gap states of 3d transition metal atoms on superconducting Re"
    submitted (2019). ARXIV:1903.10278
Peer-Reviewed Journal Articles
    2019
  1. A. Lászlóffy, L. Rózsa, K. Palotás, L. Udvardi, and L. Szunyogh:
    "Magnetic structure of monatomic Fe chains on Re(0001): Emergence of chiral multi-spin interactions"
    Physical Review B 99, 184430/1-13 (2019). ARXIV PDF
  2. L. T. Trinh, T. Lee, S. Kim, Y.-J. Lee, G. Duvjir, K. Jang, K. Palotás, S.-Y. Jeong, A. Soon, and J. Kim:
    "Growing ultrathin Cu2O films on highly crystalline Cu(111): A closer inspection from microscopy and theory"
    Journal of Physical Chemistry C 123, 12716-12721 (2019).
  3. J. Neilson, H. Chinkezian, H. Phirke, A. Osei-Twumasi, Y. Li, C. Chichiri, J. Cho, K. Palotás, L. Gan, S. J. Garrett, K. C. Lau, and L. Gao:
    "Nitrogen-doped graphene on copper: Edge-guided doping process and doping-induced variation of local work function"
    Journal of Physical Chemistry C 123, 8802-8812 (2019).
  4. T. Lee, Y.-J. Lee, K. Palotás, G. Lee, C. Stampfl, and A. Soon:
    "Polymorphic expressions of ultrathin oxidic layers of Mo on Au(111)"
    Nanoscale 11, 6023-6035 (2019).
  5. R. Turanský, K. Palotás, J. Brndiar, Y. J. Li, Y. Sugawara, and I. Štich:
    "Subatomic-scale resolution with SPM: Co adatom on p(2×1)Cu(110):O"
    Nanotechnology 30, 095703/1-7 (2019).
  6. X. Zhang, N. Xue, C. Li, N. Li, H. Wang, N. Kocić, S. Beniwal, K. Palotás, R. Li, Q. Xue, S. Maier, S. Hou, and Y. Wang:
    "Coordination-controlled C-C coupling products via ortho-site C-H activation"
    ACS Nano 13, 1385-1393 (2019). PDF

    7. 2018
  7. R. Zhachuk, J. Coutinho, and K. Palotás:
    "Atomic and electronic structure of the Si(331)-(12×1) surface"
    Journal of Chemical Physics 149, 204702/1-9 (2018). ARXIV PDF
  8. M. Lewandowski, T. Pabisiak, N. Michalak, Z. Miłosz, V. Babačić, Y. Wang, M. Hermanowicz, K. Palotás, S. Jurga, and A. Kiejna:
    "On the structure of ultrathin FeO films on Ag(111)"
    Nanomaterials 8, 828/1-19 (2018). PDF
  9. K. Palotás, L. Óvári, G. Vári, R. Gubó, A. P. Farkas, J. Kiss, A. Berkó, and Z. Kónya:
    "Au-Rh surface structures on Rh(111): DFT insights into the formation of an ordered surface alloy"
    Journal of Physical Chemistry C 122, 22435-22447 (2018).
  10. E. Simon, R. Yanes, S. Khmelevskyi, K. Palotás, L. Szunyogh, and U. Nowak:
    "Magnetism and exchange-bias effect at the MnN/Fe interface"
    Physical Review B 98, 094415/1-8 (2018). PDF
  11. K. Palotás:
    "High-resolution combined tunneling electron charge and spin transport theory of Néel and Bloch skyrmions"
    Physical Review B 98, 094409/1-13 (2018). ARXIV PDF
  12. R. Gubó, G. Vári, J. Kiss, A. P. Farkas, K. Palotás, L. Óvári, A. Berkó, and Z. Kónya:
    "Tailoring the hexagonal boron nitride nanomesh on Rh(111) with gold"
    Physical Chemistry Chemical Physics 20, 15473-15485 (2018). PDF
  13. H. Kim, A. Palacio-Morales, T. Posske, L. Rózsa, K. Palotás, L. Szunyogh, M. Thorwart, and R. Wiesendanger:
    "Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors"
    Science Advances 4, eaar5251/1-7 (2018). PDF
  14. K. Palotás, L. Rózsa, and L. Szunyogh:
    "Theory of high-resolution tunneling spin transport on a magnetic skyrmion"
    Physical Review B 97, 174402/1-15 (2018). PDF
  15. P.-J. Hsu, L. Rózsa, A. Finco, L. Schmidt, K. Palotás, E. Vedmedenko, L. Udvardi, L. Szunyogh, A. Kubetzka, K. von Bergmann, and R. Wiesendanger:
    "Inducing skyrmions in ultrathin Fe films by hydrogen exposure"
    Nature Communications 9, 1571/1-7 (2018). PDF
  16. E. Simon, L. Rózsa, K. Palotás, and L. Szunyogh:
    "Magnetism of a Co monolayer on Pt(111) capped by overlayers of 5d elements: A spin-model study"
    Physical Review B 97, 134405/1-11 (2018). PDF

    17. 2017
  17. K. Palotás, L. Rózsa, E. Simon, L. Udvardi, and L. Szunyogh:
    "Spin-polarized scanning tunneling microscopy characteristics of skyrmionic spin structures exhibiting various topologies"
    Physical Review B 96, 024410/1-9 (2017). PDF
  18. L. Rózsa, K. Palotás, A. Deák, E. Simon, R. Yanes, L. Udvardi, L. Szunyogh, and U. Nowak:
    "Formation and stability of metastable skyrmionic spin structures with various topologies in an ultrathin film"
    Physical Review B 95, 094423/1-9 (2017). PDF
    Selected for Kaleidoscope of Physical Review B, March 2017
  19. Y. Liu, K. Palotás, X. Yuan, T. Hou, H. Lin, Y. Li, and S.-T. Lee:
    "The atomistic origins of surface defects in CH3NH3PbBr3 perovskite and their electronic structures"
    ACS Nano 11, 2060-2065 (2017).

    20. 2016
  20. Gy. J. Vida, E. Simon, L. Rózsa, K. Palotás, and L. Szunyogh:
    "Domain-wall profiles in Co/Irn/Pt(111) ultrathin films: Influence of the Dzyaloshinskii-Moriya interaction"
    Physical Review B 94, 214422/1-9 (2016). PDF
  21. K. Palotás, I. Bakó, and L. Bugyi:
    "Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study"
    Applied Surface Science 389, 1094-1103 (2016).
  22. S. Ayissi, K. Palotás, H. Qin, L. Yang, and P. A. Charpentier:
    "Nanostructural adsorption of vanadium oxide on functionalized graphene: A DFT study"
    Physical Chemistry Chemical Physics 18, 29208-29217 (2016).
  23. B. Walls, O. Lübben, K. Palotás, K. Fleischer, K. Walshe, and I. V. Shvets:
    "Oxygen vacancy induced surface stabilization: (110) terminated magnetite"
    Physical Review B 94, 165424/1-7 (2016).
  24. K. Palotás, G. Mándi, and L. Szunyogh:
    "Enhancement of the spin transfer torque efficiency in magnetic STM junctions"
    Physical Review B 94, 064434/1-13 (2016). PDF
  25. W. Xiao, K.-H. Ernst, K. Palotás, Y. Zhang, E. Bruyer, L. Peng, T. Greber, W. A. Hofer, L. T. Scott, and R. Fasel:
    "Microscopic origin of chiral shape induction in achiral crystals"
    Nature Chemistry 8, 326-330 (2016).
  26. M. Jałochowski, K. Palotás, and M. Krawiec:
    "Spilling of electronic states in Pb quantum wells"
    Physical Review B 93, 035437/1-6 (2016). ARXIV PDF
  27. L. Rózsa, E. Simon, K. Palotás, L. Udvardi, and L. Szunyogh:
    "Complex magnetic phase diagram and skyrmion lifetime in an ultrathin film from atomistic simulations"
    Physical Review B 93, 024417/1-10 (2016). PDF

    28. 2015
  28. S. Ayissi, P. A. Charpentier, K. Palotás, N. Farhangi, F. Schwarz, and W. A. Hofer:
    "Preferential adsorption of TiO2 nanostructures on functionalized single-walled carbon nanotubes: A DFT study"
    Journal of Physical Chemistry C 119, 15085-15093 (2015). PDF
  29. G. Mándi, G. Teobaldi, and K. Palotás (invited):
    "What is the orientation of the tip in a scanning tunneling microscope?"
    Progress in Surface Science 90, 223-238 (2015). ARXIV PDF
  30. G. Mándi and K. Palotás:
    "Chen's derivative rule revisited: Role of tip-orbital interference in STM"
    Physical Review B 91, 165406/1-12 (2015). ARXIV PDF
  31. A. Deák, K. Palotás, L. Szunyogh, and I. A. Szabó:
    "Magnetic correlations beyond the Heisenberg model in an Fe monolayer on Rh(001)"
    Journal of Physics: Condensed Matter 27, 146003/1-6 (2015). PDF
    Selected for Cover Image of Journal of Physics: Condensed Matter, Volume 27, Issue 14

    32. 2014
  32. K. Palotás, G. Mándi, and W. A. Hofer:
    "Three-dimensional Wentzel-Kramers-Brillouin approach for the simulation of scanning tunneling microscopy and spectroscopy"
    Frontiers of Physics 9, 711-747 (2014). PDF
  33. G. Mándi, G. Teobaldi, and K. Palotás:
    "Contrast stability and 'stripe' formation in scanning tunnelling microscopy imaging of highly oriented pyrolytic graphite: the role of STM-tip orientations"
    Journal of Physics: Condensed Matter 26, 485007/1-11 (2014). ARXIV PDF
  34. E. Simon, K. Palotás, L. Rózsa, L. Udvardi, and L. Szunyogh:
    "Formation of magnetic skyrmions with tunable properties in PdFe bilayer deposited on Ir(111)"
    Physical Review B 90, 094410/1-7 (2014). PDF
  35. G. Mándi and K. Palotás:
    "STM contrast inversion of the Fe(110) surface"
    Applied Surface Science 304, 65-72 (2014). ARXIV PDF
  36. E. Simon, K. Palotás, B. Újfalussy, A. Deák, G. M. Stocks, and L. Szunyogh:
    "Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces"
    Journal of Physics: Condensed Matter 26, 186001/1-8 (2014). PDF
  37. P. Nita, K. Palotás, M. Jałochowski, and M. Krawiec:
    "Surface diffusion of Pb atoms on the Si(553)-Au surface in narrow quasi-one-dimensional channels"
    Physical Review B 89, 165426/1-6 (2014). PDF

    38. 2013
  38. S. Ayissi, P. A. Charpentier, N. Farhangi, J. A. Wood, K. Palotás, and W. A. Hofer:
    "Interaction of titanium oxide nanostructures with graphene and functionalized graphene nanoribbons: A DFT study"
    Journal of Physical Chemistry C 117, 25424-25432 (2013).
  39. G. Mándi, N. Nagy, and K. Palotás:
    "Arbitrary tip orientation in STM simulations: 3D WKB theory and application to W(110)"
    Journal of Physics: Condensed Matter 25, 445009/1-10 (2013). ARXIV PDF
  40. K. Palotás:
    "Prediction of the bias voltage dependent magnetic contrast in spin-polarized scanning tunneling microscopy"
    Physical Review B 87, 024417/1-11 (2013). ARXIV PDF

    41. 2012
  41. K. Palotás, G. Mándi, and L. Szunyogh:
    "Orbital-dependent electron tunneling within the atom superposition approach: Theory and application to W(110)"
    Physical Review B 86, 235415/1-11 (2012). PDF
  42. P. Laukkanen, M. P. J. Punkkinen, J. Puustinen, H. Levämäki, M. Tuominen, K. Schulte, J. Dahl, J. Lång, H. L. Zhang, M. Kuzmin, K. Palotás, B. Johansson, L. Vitos, M. Guina, and K. Kokko:
    "Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory"
    Physical Review B 86, 195205/1-7 (2012). PDF
  43. C. J. Aas, K. Palotás, L. Szunyogh, and R. W. Chantrell:
    "The effect of a Pt impurity layer on the magnetocrystalline anisotropy of hexagonal close-packed Co: a first-principles study"
    Journal of Physics: Condensed Matter 24, 406001/1-8 (2012). PDF
  44. L. Balogh, K. Palotás, L. Udvardi, L. Szunyogh, and U. Nowak:
    "Theoretical study of magnetic domain walls through a cobalt nanocontact"
    Physical Review B 86, 024406/1-8 (2012). PDF
  45. K. Palotás, W. A. Hofer, and L. Szunyogh:
    "Simulation of spin-polarized scanning tunneling spectroscopy on complex magnetic surfaces: Case of a Cr monolayer on Ag(111)"
    Physical Review B 85, 205427/1-13 (2012). PDF
  46. Sz. Vajna, E. Simon, A. Szilva, K. Palotás, B. Újfalussy, and L. Szunyogh:
    "Higher-order contributions to the Rashba-Bychkov effect with application to the Bi/Ag(111) surface alloy"
    Physical Review B 85, 075404/1-7 (2012). PDF

    47. 2011
  47. K. Palotás, W. A. Hofer, and L. Szunyogh:
    "Simulation of spin-polarized scanning tunneling microscopy on complex magnetic surfaces: Case of a Cr monolayer on Ag(111)"
    Physical Review B 84, 174428/1-11 (2011). PDF
  48. K. Palotás, W. A. Hofer, and L. Szunyogh:
    "Theoretical study of the role of the tip in enhancing the sensitivity of differential conductance tunneling spectroscopy on magnetic surfaces"
    Physical Review B 83, 214410/1-9 (2011). PDF

    49. 2010
  49. K. Palotás, A. N. Andriotis, and A. Lappas:
    "Structural, electronic, and magnetic properties of nanometer-sized iron-oxide atomic clusters: Comparison between GGA and GGA+U approaches"
    Physical Review B 81, 075403/1-15 (2010).

    50. 2008
  50. L. A. Zotti, G. Teobaldi, K. Palotás, W. Ji, H.-J. Gao, and W. A. Hofer:
    "Adsorption of benzene, fluorobenzene and meta-di-fluorobenzene on Cu(110): a computational study"
    Journal of Computational Chemistry 29, 1589-1595 (2008). PDF
  51. W. A. Hofer, K. Palotás, S. Rusponi, T. Cren, and H. Brune:
    "Role of hydrogen in giant spin polarization observed on magnetic nanostructures"
    Physical Review Letters 100, 026806/1-4 (2008). PDF

    52. 2007
  52. K. Palotás and W. A. Hofer:
    "Simulating adsorption of complex molecules using the linearity between interaction energies and tunnelling currents: the case of hexabenzocoronene on a Ag/Pt dislocation network"
    New Journal of Physics 9, 393/1-7 (2007). PDF
  53. P. Ruffieux, K. Palotás, O. Gröning, D. Wasserfallen, K. Müllen, W. A. Hofer, P. Gröning, and R. Fasel:
    "Site- and orientation-selective anchoring of a prototypical molecular building block"
    Journal of the American Chemical Society 129, 5007-5011 (2007).
  54. W. A. Hofer, K. Palotás, G. Teobaldi, J. Sadowski, A. Mikkelsen, and E. Lundgren:
    "Detection of spin-states in Mn-doped gallium arsenide films"
    Nanotechnology 18, 044006/1-5 (2007).
  55. N. Néel, J. Kröger, L. Limot, K. Palotás, W. A. Hofer, and R. Berndt:
    "Conductance and Kondo effect in a controlled single atom contact"
    Physical Review Letters 98, 016801/1-4 (2007). ARXIV PDF

    56. 2006
  56. W. Xiao, P. Ruffieux, K. Aït-Mansour, O. Gröning, K. Palotás, W. A. Hofer, P. Gröning, and R. Fasel:
    "Formation of a regular fullerene nanochain lattice"
    Journal of Physical Chemistry B 110, 21394-21398 (2006).

    57. 2005
  57. K. Palotás and W. A. Hofer:
    "Multiple scattering in a vacuum barrier obtained from real-space wavefunctions"
    Journal of Physics: Condensed Matter 17, 2705-2713 (2005).

    58. 2004
  58. K. Palotás, B. Lazarovits, L. Szunyogh, and P. Weinberger:
    "Ab initio study of the electric transport in gold nanocontacts containing single impurities"
    Physical Review B 70, 134421/1-9 (2004). PDF
  59. K. Palotás, B. Lazarovits, P. Weinberger, and L. Szunyogh:
    "Electric transport in nanostructures: real space ab initio investigations"
    Journal of Magnetism and Magnetic Materials 272-276, Part 2, 1594-1595 (2004). PDF
  60. L. Udvardi, L. Szunyogh, K. Palotás, and P. Weinberger:
    "First principles fully relativistic study on low energy magnetic excitations of thin films"
    Journal of Magnetism and Magnetic Materials 272-276, Part 1, 304-305 (2004). PDF

    61. 2003
  61. L. Udvardi, L. Szunyogh, K. Palotás, and P. Weinberger:
    "First-principles relativistic study of spin waves in thin magnetic films"
    Physical Review B 68, 104436/1-11 (2003). PDF
  62. S. Khmelevskyi, K. Palotás, L. Szunyogh, and P. Weinberger:
    "Ab initio calculation of the anisotropic magnetoresistance in Ni1-cFec bulk alloys"
    Physical Review B 68, 012402/1-4 (2003). PDF
  63. K. Palotás, B. Lazarovits, L. Szunyogh, and P. Weinberger:
    "Ab initio studies of electric transport in terms of the real space Kubo-Greenwood equation"
    Physical Review B 67, 174404/1-7 (2003). PDF
Book Chapters
  1. K. Palotás and L. Szunyogh:
    "Screened KKR",
    in Springer Proceedings in Physics series, Volume 204: Multiple Scattering Theory for Spectroscopies, Editors: D. Sébilleau, K. Hatada, H. Ebert, Chapter 28, pp. 381-386, Springer, ISBN-978-3-319-73810-9 (2018). PDF
  2. C. Florackis and K. Palotás:
    "Corporate Governance and Performance: New Evidence Using Nonlinear Principal Component Analysis",
    in Advances in Quantitative Analysis of Finance and Accounting, Editor: C.-F. Lee, Volume 10, pp. 1-30, World Scientific Publishing, New Jersey (2012). Abstract & Preprint
  3. K. Palotás, B. Lazarovits, P. Weinberger, and L. Szunyogh:
    "Electric properties of nanostructures",
    in Handbook of Theoretical and Computational Nanotechnology, Editors: M. Rieth, W. Schommers, Volume 10, Chapter 6, pp. 363-408, American Scientific Publishers, Los Angeles, ISBN-1-58883-042-X (2006). PDF
Theses
  1. MSc thesis:
    "Corporate governance effects on corporate performance: a nonlinear principal component analysis for UK companies", University of Liverpool (2007).
  2. PhD thesis:
    "Ab initio theory of electric transport in nanostructures", Vienna University of Technology (2004).
  3. MSc thesis:
    "Magnon-spectra in bulk Fe. A relativistic approach", Budapest University of Technology and Economics (2001).
Last modified: 23 May 2019