Pavel Jelínek

Publications:

  1. A. Charvátová Campbell, Pavel Jelínek, P. Klapetek
    Study of uncertainties of height measurements of monoatomic steps on Si 5x5 using DFT
    Meas. Sci. Technol. 28 (2017) 034005(1) - 034005(6).

  2. T. Chutora, J. Redondo, B. de la Torre, M. ©vec, P. Jelínek, H. Vazquez
    Stable Au–C bonds to the substrate for fullerene-based nanostructures
    Beilstein J. Nanotechnol. 8 (2017) 1073 - 1079.

  3. O. Krejčí, P. Hapala, M. Ondráček, P. Jelínek
    Principles and simulations of high-resolution STM imaging with a flexible tip apex
    Phys. Rev. B 95 (2017) 045407(1) - 045407(9).

  4. J. Onoda, M. Ondáček, P. Jelínek, Y. Sugimoto
    Electronegativity determination of individual surface atoms by atomic force microscopy
    Nat. Commun. 8 (2017) 15155(1) - 15155(6).

  5. O. Stetsovych, M. ©vec, J. Vacek, J. Vacek Chocholouąová, A. Jančařík, J. Rybáček, K. Kosmider, I. G. Stará, P. Jelínek, I. Starý
    From helical to planar chirality by on-surface chemistry
    Nat. Chem. 9 (2017) 213 - 218.

  6. J. Berger, K. Ko¶mider, O. Stetsovych, M. Vondráček, P. Hapala, E. J. Spadafora, M. ©vec, P. Jelínek
    Study of Ferrocene Dicarboxylic Acid on Substrates of Varying Chemical Activity
    J. Phys. Chem. C 120 (2016) 21955 - 21961.

  7. N. J. van der Heijden, P. Hapala, J. A. Rombouts, J. van der Lit, D. Smith, P. Mutombo, M. ©vec, P. Jelinek, I. Swart
    Characteristic Contrast in Δfmin Maps of Organic Molecules Using Atomic Force Microscopy
    ACS Nano 10 (2016) 8517 - 8525.

  8. J. van der Lit, F. Di Cicco, P. Hapala, P. Jelinek, I. Swart
    Submolecular Resolution Imaging of Molecules by Atomic Force Microscopy: The Influence of the Electrostatic Force
    Phys. Rev. Lett. 116 (2016) 096102-1 - 096102-5.

  9. P. Hapala, M. Svec, O. Stetsovych, N. J. van der Heijden, M. Ondracek ,J. van der Lit, P. Mutombo, I. Swart, P. Jelinek
    Mapping the electrostatic force field of single molecules from high-resolution scanning probe images
    Nat. Commun. 7 (2016) 11560(1) - 11560(8).

  10. W. Kamiski, R. Topolnicki, P.Hapala, P. Jelínek, R. Kucharczyk
    Tuning the conductance of benzene-based single-molecule junctions
    Org. Electron. 34 (2016) 254 - 261.

  11. N. Kocić, X. Liu, S. Chen, S. Decurtins, O. Krejčí, P. Jelínek, J. Repp, S.-X. Liu
    Control of Reactivity and Regioselectivity for On-Surface Dehydrogenative Aryl–Aryl Bond Formation
    J. Am. Chem. Soc. 138 (2016) 5585 - 5593.

  12. M. Ondráček, P. Hapala, P. Jelínek
    Charge-state dynamics in electrostatic force spectroscopy
    Nanotechnology 27 (2016) 274005(1) - 274005(13).

  13. O. Ranasingha, H. Wang, V. Zobač, P. Jelínek, G. Panapitiya, A. J. Neukirch∥, O. V. Prezhdo, J. P. Lewis
    Slow Relaxation of Surface Plasmon Excitations in Au55: The Key to Efficient Plasmonic Heating in Au/TiO2
    J. Phys. Chem. Lett. 7 (2016) 1563 - 1569.

  14. J. Sforzini, P. Hapala, M. Franke, G. van Straaten, A. Stöhr, S. Link, S. Soubatch, P. Jelínek, T.-L. Lee, U. Starke, M. ©vec, F. C. Bocquet, F. S. Tautz
    Structural and Electronic Properties of Nitrogen-Doped Graphene
    Phys. Rev. Lett. 116 (2016) 126805(1) - 126805(6).

  15. V. Zobač, J.P. Lewis, P. Jelínek
    Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions
    Nanotechnology 27 (2016) 285202(1) - 285202(8).

  16. F. Albrecht, J. Repp, M. Fleischmann, M. Scheer, M. Ondráček, P. Jelínek
    Probing Charges on the Atomic Scale by Means of Atomic Force Microscopy
    Phys. Rev. Lett. 115 (2015) 076101-1 - 076101-5.

  17. J. Berger, E. J. Spadafora, P. Mutombo, P. Jelínek, M. ©vec
    Force-Driven Single-Atom Manipulation on a Low-Reactive Si Surface for Tip Sharpening
    Small 11 (2015) 3686 - 3693.

  18. M. Corso, M. Ondráček, Ch. Lotze, P. Hapala, K. J. Franke, P. Jelínek, J. I. Pascual
    Charge Redistribution and Transport in Molecular Contacts
    Phys. Rev. Lett. 115 (2015) 136101(1) - 136101(5).

  19. K. Iwata, Sh. Yamazaki, P. Mutombo, P. Hapala, M. Ondráček, P. Jelínek, Y. Sugimoto
    Chemical structure imaging of a single molecule by atomic force microscopy at room temperature
    Nat. Commun. 6 (2015) 7766(1) - 7766(6).

  20. Pablo Merino, Martin ©vec, Jose Ignacio Martinez, Pingo Mutombo, César González, José Ángel Martin-Gago, Pedro L de Andrés Rodriguez, Pavel Jelinek
    Ortho and Para Hydrogen Dimers on G/SiC (0001): combined STM and DFT study
    Langmuir 31 (1) (2015) 233 - 239.

  21. A.J. Neukirch, J. Park, V. Zobac, H. Wang, P. Jelinek, O. V. Prezhdo, H.-C. Zhou, J. P. Lewis
    Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers
    J. Phys.-Condens. Mat. 27 (2015) 134208(1) - 134208(11).

  22. Mykola Telychko, Jan Berger, Zsolt Majzik, Pavel Jelínek, Martin ©vec
    Graphene on SiC (0001) inspected by dynamic atomic force microscopy at room temperature
    Beilstein J. Nanotechnol. 6 (2015) 901 - 906.

  23. M. Telychko, P. Mutombo, P. Merino, P. Hapala, M. Ondráček, F.C. Bocquet, J. Sforzini, O. Stetsovych, M. Vondráček, P. Jelínek, M. ©vec
    Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene
    ACS Nano 9 (2015) 9180 - 9187.

  24. Sh. Yamazaki, K. Maeda, Y. Sugimoto, M. Abe, V. Zobač, P. Pou, L. Rodrigo, P. Mutombo, R. Perez, P. Jelínek, S. Morita
    Interplay between Switching Driven by the Tunneling Current and Atomic Force of a Bistable Four-Atom Si Quantum Dot
    Nano Lett. 15 (2015) 4356 - 4363.

  25. V. Zobač, J.P. Lewis, E. Abad, J.I. Mendieta-Moreno, P. Hapala, P. Jelínek, J. Ortega
    Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
    J. Phys.-Condens. Mat. 27 (2015) 175002(1) - 175002(11).

  26. P. Hapala, G. Kichin, Ch. Wagner, F. S. Tautz, R. Temirov, P. Jelínek
    Mechanism of high-resolution STM/AFM imaging with functionalized tips
    Phys. Rev. B 90 (2014) 085421(1) - 085421(9).

  27. P. Hapala, R. Temirov, F. S. Tautz, P. Jelínek
    Origin of High-Resolution IETS-STM Images of Organic Molecules with Functionalized Tips
    Phys. Rev. Lett. 113 (2014) 226101(1) - 226101(5).

  28. K. Kůsová, P. Hapala, J. Valenta, P. Jelínek, O. Cibulka, L. Ondič, I. Pelant
    Direct Bandgap Silicon: Tensile-Strained Silicon Nanocrystals
    Adv. Mater. Interf. 1 (2014) 1300042(1) - 1300042(9).

  29. P. Merino, M. ©vec, J.I. Martinez, P. Jelínek, P. Lacovig, M. Dalmiglio, S. Lizzit, P. Soukiassian, J. Cernicharo, J.A. Martin-Gago
    Graphene etching on SiC grains as a path to interstellar polycyclic aromatic hydrocarbons formation
    Nat. Commun. 5 (2014) 3054(1) - 3054(9).

  30. J. Onoda, M. Ondráček, A, Yurtsever, P. Jelínek, Y. Sugimoto
    Initial and secondary oxidation products on the Si(111)-(7x7) surface identified by atomic force microscopy and first principles calculations
    Appl. Phys. Lett. 104 (2014) 133107(1) - 133107(4).

  31. E. J. Spadafora, J. Berger, P. Mutombo, M. Telychko, M. ©vec, Z. Majzik, A. B. McLean, P. Jelínek
    Identification of Surface Defects and Subsurface Dopants in a Delta-Doped System Using Simultaneous nc-AFM/STM and DFT
    J. Phys. Chem. C 118 (2014) 15744 - 15753.

  32. M. ©vec, P. Hapala, M. Ondráček, P. Merino, M. Blanco-Rey, P. Mutombo, M. Vondráček, Y. Polyak, V. Cháb, J. A. Martín Gago, P. Jelínek
    Silicene versus two-dimensional ordered silicide: Atomic and electronic structure of Si-(√19×√19)R23.4◦/Pt(111)
    Phys. Rev. B 89 (2014) 201412(1) - 201412(5).

  33. M. Telychko, P. Mutombo, M. Ondráček, P. Hapala, F.C. Bocquet, J. Kolorenč, M. Vondráček, P. Jelínek, M. ©vec
    Achieving High-Quality Single-Atom Nitrogen Doping of Graphene/SiC(0001) by Ion Implantation and Subsequent Thermal Stabilization
    ACS Nano 8 (2014) 7318 - 7324.

  34. E. Abad, J. P Lewis, V. Zobač, P. Hapala, P. Jelínek, J. Ortega
    Calculation of non-adiabatic coupling vectors in a local-orbital basis set
    J. Chem. Phys. 138 (2013) 154106(1) - 154106(8).

  35. J. Berger, M. ©vec, M. Müller, M. Ledinský, A. Fejfar, P. Jelínek, Z. Majzik
    Characterization of the mechanical properties of qPlus sensors
    Beilstein J. Nanotechnol. 4 (2013) 1 - 9.

  36. P. Hapala, K. Kůsová, I. Pelant, P. Jelínek
    Theoretical analysis of electronic band structure of 2- to 3-nm Si nanocrystals
    Phys. Rev. B 87 (2013) 195420(1) - 195420(13).

  37. Z. Majzik, B. Drevniok, W. Kamiński, M. Ondráček, A. B. McLean, P. Jelínek
    Room Temperature Discrimination of Adsorbed Molecules and Attachment Sites on the Si(111)–7 × 7 Surface Using a qPlus Sensor
    ACS Nano 7 (2013) 2686 - 2692.

  38. Z. Majzik, M.R. Tchalala, M. ©vec, P. Hapala, H. Enriquez, A. Kara, A. J. Mayne, G. Dujardin, P. Jelínek, H. Oughaddou
    Combined AFM and STM measurements of a silicene sheet grown on the Ag(111) surface
    J. Phys.-Condens. Mat. 25 (2013) 225301(1) - 225301(6).

  39. P. Sobotík, M. Setvín, P. Zimmermann, P. Kocán, I. Oąt’ádal, P. Mutombo, M. Ondráček, P. Jelínek
    Emergence of state at Fermi level due to the formation of In-Sn heterodimers on Si(100)-2×1
    Phys. Rev. B 88 (2013) 205406(1) - 205406(7).

  40. Y. Sugimoto, M. Ondráček, M. Abe, P. Pou, S. Morita, R. Pérez, F. Flores, P. Jelínek
    Quantum Degeneracy in Atomic Point Contacts Revealed by Chemical Force and Conductance
    Phys. Rev. Lett. 111 (2013) 106803(1) - 106803(5).

  41. Y. Sugimoto, A. Yurtsever, M. Abe, S. Morita, M. Ondráček, P. Pou, R. Pérez, P. Jelínek
    Role of Tip Chemical Reactivity on Atom Manipulation Process in Dynamic Force Microscopy
    ACS Nano 7 (2013) 7370 - 7376.

  42. A. J. Weymouth, D. Meuer, P. Mutombo, T. Wutscher, M. Ondráček, P. Jelínek, F. J. Giessibl
    Atomic Structure Affects the Directional Dependence of Friction
    Phys. Rev. Lett. 111 (2013) 126103(1) - 126103(4).

  43. A. Yurtsever, Y. Sugimoto, H. Tanaka, M. Abe, S. Morita, M. Ondráček, P. Pou, R. Pérez, P. Jelínek
    Force mapping on a partially H-covered Si(111)-(7x7) surface: Influence of tip and surface reactivity
    Phys. Rev. B 87 (2013) 155403(1) - 155403(10).

  44. P. Jelínek, M. Ondráček, F. Flores
    Relation between the chemical force and the tunnelling current in atomic point contacts: a simple model
    J. Phys.-Condens. Mat. 24 (2012) 084001(1) - 084001(10).

  45. Z. Majzik, M. Setvín, A. Bettac, A. Feltz, V. Cháb, P. Jelínek
    Simultaneous current, force and dissipation measurements on the Si(111) 7×7 surface with an optimized qPlus AFM/STM technique
    Beilstein J. Nanotechnol. 3 (2012) 249 - 259.

  46. M. Ondráček, C. González, P. Jelínek
    Reversal of atomic contrast in scanning probe microscopy on (111) metal surfaces
    J. Phys.-Condens. Mat. 24 (2012) 084003(1) - 084003(7).

  47. M. Ondráček, P. Mutombo, Z. Chvoj, A. G. Mark, Z. Chromcová, A.B. McLean, P. Jelínek
    Stability, interaction and influence of domain boundaries in Ge/Si(111)-5 × 5
    J. Phys.-Condens. Mat. 24 (2012) 445003 - 445016.

  48. M. Setvín, P. Mutombo, M. Ondráček, Z. Majzik, M. ©vec, V. Cháb, I. Oą»ádal, P. Sobotík, P. Jelínek
    Chemical Identification of Single Atoms in Heterogeneous III-IV Chains on Si(100) Surface by Means of nc-AFM and DFT Calculations
    ACS Nano 6 (2012) 6969 - 6976.

  49. M. ©vec, P. Merino, Y. J. Dappe, C. González, E. Abad, P. Jelínek, J. A. Martín-Gago
    van der Waals interactions mediating the cohesion of fullerenes on graphene
    Phys. Rev. B 86 (2012) 121407(R) - 121412(R).

  50. A. Yurtsever, D. Fernandez-Torre, C. Gonzalez, P. Jelinek, P. Pou, Y. Sugimoto, M. Abe, R. Perez, S. Morita
    Understanding image contrast formation in TiO2 with force spectroscopy
    Phys. Rev. B 85 (2012) 125416(1) - 125416(9).

  51. A. Campbellová, M. Ondráček, P. Pou, R. Pérez, P. Klapetek, P. Jelínek
    'Sub-atomic' resolution of non-contact atomic force microscope images induced by a heterogeneous tip structure: a density functional theory study
    Nanotechnology 22 (2011) 295710(1) - 295710(7).

  52. J.P. Lewis, P. Jelínek, J. Ortega, A.A. Demkov, D.G. Trabada, B. Haycock, H. Wang, G. Adams, J.K. Tomfohr, E. Abad, H. Wang, D.A. Drabold
    Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism
    phys. status solidi b 248 (2011) 1989 - 2007.

  53. Z. Majzik, W. Kamiński, A.J. Weymouth, M. Vondráček, V. Zobač, M. ©vec, A. Berkó, A.B. McLean, K.C. Prince, P. Jelínek, and V. Cháb
    An Investigation of Ethylene Attachment to Si(111)–7 x 7 in the Restatom–Adatom Bridging Geometry: Electronic and Vibrational Properties
    J. Phys. Chem. C 115 (2011) 21791 - 21799.

  54. M. Ondráček, P. Pou, V. Rozsíval, C. González, P. Jelínek, R. Pérez
    Forces and Currents in Carbon Nanostructures: Are We Imaging Atoms?
    Phys. Rev. Lett. 106 (2011) 176101(1) - 176101(4).

  55. M. Ternes, C. González, Ch. P. Lutz, P. Hapala, F.J. Giessibel, P. Jelínek, A.J. Heinrich
    Interplay of Conductance, Force, and Structural Change in Metallic Point Contacts.
    Phys. Rev. Lett. 106 (2011) 016802(1) - 016802(4).

  56. W. Kaminski, W. Rozsíval, P. Jelínek
    Theoretical study of electronic and transport properties of PPy-Pt(111) and PPy-C(111):H interfaces
    J. Phys.-Condens. Mat. 22 (2010) 045003(1) - 045003(10).

  57. S. Lindsay, J. He, O. Sankey, P. Hapala, P. Jelínek, P. Zhang, S.Chang, S. Huang
    Recognition tunneling
    Nanotechnology 21 (2010) 262001(1) - 262001(12).

  58. C.Sánchez-Sánchez, C.González, P.Jelínek, J.Méndez, P.L.deAndres, J.A. Martín-Gago, M.F. López
    Understanding atomic-resolved STM images on TiO.2.(110)-(1x1) surface by DFT calculations.
    Nanotechnology 21 (2010) 405702(1) - 405702(10).

  59. R. Bechstein, C. González, J. Schütte, P. Jelínek, R. Pérez, A. Kühnle
    'All-inclusive' imaging of the rutile TiO.2.(110) surface using NC-AFM.
    Nanotechnology 20 (2009) 505703(1) - 505703(7).

  60. K. Koąmider, A. Krupski, P.Jelínek, L. Jurczyszyn
    Atomic and electronic properties of the Pb/Mo(110) adsorption system.
    Phys. Rev. B 80 (2009) 115424(1) - 115424(7).

  61. P. Pou, S.A. Ghasemi, P. Jelínek, T. Lenosky, S. Goedecker, R. Perez
    Structure and stability of semiconductor tip apexes for atomic force microscopy.
    Nanotechnology 20 (2009) 264015-1 - 264015-10.

  62. S. Sadewasser, P.Jelínek, Ch.K. Fang, O.Custance, Y. Yamada, Y.Sugimoto, M.Abe, S.Morita
    New Insights on Atomic-Resolution Frequency-Modulation Kelvin-Probe Force-Microscopy Imaging of Semiconductors.
    Phys. Rev. Lett. 103 (2009) 266103(1) - 266103(4).

  63. M. ©vec, V. Dudr, M. Vondráček, P. Jelínek, P. Mutombo, V. Cháb, F. ©utara, V. Matolín, K. Prince
    Intra-atomic charge re-organization at the Pb Si interface: Bonding mechanism at low cover.
    Surf. Sci. 603 (2009) 2861 - 2869.

  64. H. Vázquez, P.Jelínek, M. Brandbyge, A.P. Jauho, F. Flores
    Corrections to the density-functional theory electronic spectrum: copper phthalocyanine.
    Appl. Phys. A-Mater. 95 (2009) 257 - 263.

  65. P. Jelínek, R. Pérez, J. Ortega, F. Flores
    Ab initio study of evolution of mechanical and transport properties of clean and contaminated Au nanowires along the deformation path.
    Phys. Rev. B 77 (2008) 115447(1) - 115447(11).

  66. P.Jelínek, M. ©vec, P. Pou, R. Perez, V. Cháb
    Tip-Induced Reduction of the Resonant Tunneling Current on Semiconductor Surfaces.
    Phys. Rev. Lett. 101 (2008) 176101(1) - 176101(4).

  67. B. Pieczyrak, C. González, P. Jelínek, R. Peréz, J. Ortega, F. Flores
    Mechanical and electrical properties of stretched clean and H-contaminated Pd-nanowires.
    Nanotechnology 19 (2008) 335711(1) - 335711(8).

  68. Y.Sugimoto, P. Pou, O. Custance, P. Jelínek, M. Abe, R. Perez, S. Morita
    Complex Patterning by Vertical Interchange Atom Manipulation Using Atomic Force Microscopy.
    Science 322 (2008) 413 - 417.

  69. M. ©vec, P. Jelínek, P. Shukrynau, C. González, V. Cháb, V. Drchal
    Local atomic and electronic structure of the Pb/Si(111) mosaic phase: STM and ab initio study.
    Phys. Rev. B 77 (2008) 125104(1) - 125104(8).

  70. M.A. Basasnta, Y.J. Dappe, P. Jelínek, J. Ortega
    Optimized atomic-like orbitals fo first-principles tight-binding molecular dynamics.
    Comput Mater Sci 39 (2007) 759 - 766.

  71. Y.Sugimoto, P.Jelínek, P.Pou, M.Abe, S.Morita, R. Perez, O. Custance
    Mechanism for Room-Temperature Single-Atom Lateral Manipulations on Semiconductors using Dynamic force Microscopy.
    Phys. Rev. Lett. 98 (2007) 106104-1 - 106104-4.

  72. Y. Sugimoto, P. Pou, M. Abe, P. Jelínek, R. Pérez, S. Morita, Ó. Custance
    Chemical identification of individual surface atoms by atomic force microscopy.
    Nature 446 (2007) 64 - 67.

  73. P.Jelínek, R.Pérez, J.Ortega, F.Flores
    Hydrogen dissociation over Au nanowires and the fractional conductance quantum
    Phys. Rev. Lett. 96, č.4 (2006) 046803/1 - 046803/4.

  74. N.Oyabu, P.Pou, Y.Sugimoto, P.Jelínek, M.Abe, S.Morita, R.Pérez, Ó.Custance
    Single atomic contact adhesion and dissipation in dynamic force microscopy
    Phys. Rev. Lett. 96 č.10 (2006) 106101/1 - 106101/4.

  75. Y.Sugimoto, P.Pou, O.Custance, P.Jelínek, S.Morita, R.Peréz, M.Abe.
    Real topography, atomic relaxations and short-range chemical interactions in atomic force microscopy: The case of the α-Sn/Si(111)-(√3 x √3) R30o surface.
    Phys. Rev. B 73 (2006) 205329-1 - 205329-9.

  76. J. M. Blanco, C. González, P. Jelínek, J. Ortega, F. Flores, R. Pérez, M. Rose, M. Salmeron, J. Méndez, J. Wintterlin, G. Ertl
    Origin of contrast in STM images of oxygen on Pd(111) and its dependence on tip structure and tunneling parameters
    Phys. Rev. B 71 (2005) 113402(1) - 113402(4).

  77. P. Jelínek, R. Pérez, J. Ortega, F. Flores
    Universal behaviour in the final stage of the breaking process for metal nanowires
    Nanotechnology 16 (2005) 1023 - 1028.

  78. P. Jelínek, H. Wang, J. P. Lewis, O.F. Sankey, J.Ortega
    Multicenter approach to the exchange-correlation interactions in ab initio tight-binding methods
    Phys. Rev. B 71 (2005) 235101(1) - 235101(9).

  79. J. M. Blanco, C. Gonzáles, P. Jelínek, J. Ortega, F. Flores, R. Peréz
    First-principles simulations of STM images: From tuneling to the contact regime.
    Phys. Rev. B 70 (2004) 85405

  80. P. Jelínek, R. Peréz, J. Ortega, F. Florez
    Mechanical properties and electrical conductance of different Al nanowire submitted to an homogeneous deformation: a first-principles simulation.
    Surf. Sci. 566-568 (2004) 13 - 23.

  81. W. Kaminski, P. Jelínek, R. Pérez, F. Flores, J. Ortega
    Si-substitutional defects on the alpha-Sn-Si(111)-(r3xr3) surface.
    Appl. Surf. Sci. 234 (2004) 286 - 291.

  82. Z. Kuntová, P. Jelínek, V. Cháb, Z. Chvoj
    Single atom diffusion of Pb on a Si(111)-7x7 surface.
    Surf. Sci. 566-568 (2004) 130 - 136.

  83. P. Jelínek, M. Ondřejček, J. Slezák, V. Cháb
    Experimental and theoretical studies of single Pb atom dynamics in one Si(111)-(7x7) unit cell.
    Surf. Sci. 544 (2003) 339 - 347.

  84. P. Jelínek, R. Pérez, J. Ortega, F. Flores
    First-principles simulations of the stretching and final breaking of Al nanowires: Mechanical properties and electrical conductance
    Phys. Rev. B 68 (2003) 085403

  85. M. Maąín, Z. Chvoj, P. Jelínek, J. Heinonen
    Monte-Carlo simulation of the diffusion in a two barriers system.
    Surf. Sci. 516 (2002) 169 - 178.