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
  8. 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
  9. 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
  10. 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).
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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

  18. 2017
  19. 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
  20. 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
  21. 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).

  22. 2016
  23. 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
  24. 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).
  25. 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).
  26. 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).
  27. 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
  28. 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).
  29. 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
  30. 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

  31. 2015
  32. 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
  33. 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
  34. 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
  35. 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

  36. 2014
  37. 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
  38. 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
  39. 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
  40. G. Mándi and K. Palotás:
    "STM contrast inversion of the Fe(110) surface"
    Applied Surface Science 304, 65-72 (2014). ARXIV PDF
  41. 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
  42. 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

  43. 2013
  44. 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).
  45. 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
  46. 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

  47. 2012
  48. 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
  49. 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
  50. 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
  51. 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
  52. 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
  53. 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

  54. 2011
  55. 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
  56. 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

  57. 2010
  58. 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).

  59. 2008
  60. 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
  61. 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

  62. 2007
  63. 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
  64. 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).
  65. 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).
  66. 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

  67. 2006
  68. 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).

  69. 2005
  70. 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).

  71. 2004
  72. 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
  73. 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
  74. 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

  75. 2003
  76. 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
  77. 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
  78. 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