Publications

Publications

2010

  • A. Kara, S. Vizzini, C. Leandri, B. Ealet, H. Oughaddou, B. Aufray, and G. Le Lay, Silicon Nano-Ribbons on Ag(110): a computational investigation. J. Phys. Conden. Matter 22 , 045004(2010). read
  • H. Yildirim, A. Kara, and T.S. Rahman, Surface Vibrational Thermodynamics from Ab initio Calculations for fcc(100). Surf. Sci. 604 , 308 (2010). read

2009

  • F. Rabbering, A. Kara, H. Wormeester, T. Warnaar, O. Trushin, T.S. Rahman, and B. Poelsema, Dispersed Forces from Measured Shape Anisotropy of Adatom Islands: Revelations from an Accelerated Simulation Scheme. Phys. Rev. Lett. 103, 096105 (2009). read
  • A. Kara, O. Trushin, H. Yildirim, and T.S. Rahman, Off-lattice self-learning kinetic Monte Carlo: application to 2D cluster diffusion on the fcc(111) surface. J. Phys. Condens. Matter 21, 084213 (2009). read
  • A. Kara, C. Leandri, M.E. Davila, P. De Padova, B. Ealet, H. Oughaddou, B. Aufray, and G. Le Lay, Physics of Silicene Stripes. J. Supercond Nov Magn 22, 259 (2009). read
  • K. Muller, A. Kara, T.K. Kim, R. Bertschinger, A. Scheybal, J. Osterwalder, and T.A. Jung, Multimorphism in molecular monolayers: Pentacene on Cu(110). Phys. Rev. B 79, 245421 (2009). read
  • H. Yildirim, A. Kara, and T.S. Rahman, Structural, vibrational and thermodynamic properties of Ag(n)Cu(34-n) nanoparticles. J. Phys. Condens. Matter 21, 084220 ( 2009). read
  • F. Mehmood, A. Kara, T.S. Rahman, and C.R. Henry, Comparative study of CO adsorption on flat, stepped, and kinked Au surfaces using density functional theory. Physical Review B 79, 075422 (2009). read
  • G. Nandipati, Y. Shim, J.G. Amar, A. Karim, A. Kara, T.S. Rahman, and O. Trushin, Parallel kinetic Monte Carlo simulations of Ag(111) island coarsening using a large database. J. Phys. Condens. Matter 21, 084214 (2009). read
  • S. Zayzoune, M. Mazroui, Y. Boughaleb, and A. Kara, Anomalous behaviour of the diffusion coefficient in interacting adsorbates. Surf. Sci. 603, 3126 (2009). read
  • G. Le Lay, B. Aufray, C. Leandri, H. Oughaddou, J.P. Biberian, P. De Padova, M.E. Davila, B. Ealet, and A. Kara, Physics and chemistry of silicene nano-ribbons. Appl. Surf. Sci., 256 , 524 (2009). read
  • M.E. Davila, C. Leandri, A. Kara, B. Ealet, P. De Padova, B. Aufray, and G. Le Lay, Graphene-like Silicon Nano-ribbons on the Silver(110) Surface. IEEE Jan 9 (2009). read
  • K. Muller, A. Kara, J. Osterwalder, and T.A. Jung Pentacene adsorption on partly and fully oxygen covered Cu(110) surface. Phys. Rev. B to be submitted (2009). read
  • B. Aufray, A. Kara, S. Vizzini, C. Leandri, B. Ealet, H. Oughaddou, and G. Le Lay, Epitaxial growth of graphene-like silicon nanoribbons: a possible formation of silicene. Physics Review B submitted (2009). read
  • P. De Padova, P.M. Sheverdyaeva, P. Moras, D. Topwal, C. Ottaviani, C. Quaresima, C. Carbone, B. Olivieri, A. Kara, B. Aufray, and G. Le Lay, Graphene-like electronic signature on silicon nano-ribbons. Nano-Letters submitted (2009). read

2007-2008

  • H. Oughaddou, B. Aufray, B. Ealet, G. LeLay, G. Treglia, A. Kara and T.S. Rahman, Self- organization of Ge-tetramers on Ag(001) surfaces: 2D realization of unusual substrate mediated interaction, Surf. Sci. 601, 506 (2008). read
  • A. Deshpande, H. Yildirim, A. Kara, D. P. Acharya, J. Vaughn, T. S. Rahman, and S.- W. Hla, Atom By-Atom Extraction Using the Scanning Tunneling Microscope Tip-Cluster Interaction, Phys. Rev. Lett. 98, 028304 (2007). read
  • H. Yildirim, A. Kara, and T.S. Rahman, Tip-induced adatom extraction and cluster manipulation, Phys. Rev. B 75, 205409 (2007). read
  • C. Ghosh, A. Kara, and T.S. Rahman, Usage of pattern recognition scheme in kinetic Monte Carlo simulations: Application to cluster diffusion on Cu(1 1 1), Surf. Sci. 601, 3159 (2007). read
  • H. Oughaddou, A. Mayne, B. Aufray, J. P. Bibérian , G. Le Lay, B. Ealet, G. Dujardin and A. Kara, Germanium adsorption on Ag(111) : an AES-LEED and STM study, J. Nanoscience and Nanotechnology 7 (2007). read

2005-2006

  • A. Kara and T.S. Rahman Structure, Dynamics and Thermodynamics of a metal chiral surface: Cu(532) J. of Phys. Condens. Matter 18, 8883 (2006).read
  • F. Mehmood, A. Kara, T.S. Rahman, and K.P. Bohnen Energetics of CO on stepped and kinked Cu surfaces: A comparative theoretical study Phys. Rev. B 74, 155439 (2006). read
  • F. Mehmood, A. Kara, and T.S. Rahman Comparative study of multilayer relaxations of Cu(532) using ab initio electronics structure calculations and many body potentials, Surf. Sci. 600, 4501 (2006). read
  • H. Yildirim, A. Kara, S. Durukanoglu, and T.S. Rahman Calculated Pre-Exponential Factors and Energetics for Adatom Hopping on Terraces and Steps of Cu(100) and Cu(110), Surf. Sci. 600, 484 (2006).read
  • H. Yildirim, A. Kara, T. S. Rahman, E. D. Calisir, S. Erkoc, M. Selvi, F. Erkoc, Theoretical Comparative Study of the Structure, Dynamics and Electronic Properties of Three Ally Molecules: Allicin, Methyl Propyl Disulfide (MPD) and Allyl Methyl Sulfide (AMS), Int. J. Pure Appl. Chem. 2, 171 (2006) read
  • E. D. Calisir, S. Erkoc, H. Yildirim, A. Kara, T. S. Rahman, M. Selvi, F. Erkoc Theoretical comparative study of the structure, dynamics, and electronic properties of two ally molecules: S-allyl cysteine (SAC) and S-allyl micocysteine (SAMC), Int. J. Pure Appl. Chem. 1, 47 (2006). read
  • A. Karim, A. Al-Rawi, A. Kara, T.S. Rahman, O. Trushin, and T. Ala-Nissila Diffusion of small two dimensional copper islands on Cu(111) studied with a kinetic Monte Carlo method, Phys Rev. B 75, 165411 (2006) read
  • C. Ghosh, A. Kara, T. S. Rahman Comparative study of adatom manipulation on several fcc metal surfaces J. of Nanoscience and Nanotechnology, 6, 1068 (2006). read

2004-2005

  • A. Kara and T. S. Rahman Vibrational dynamics and thermodynamics of surfaces and nanostructures, Surf. Sci. Rep. 56, 159 (2005). read
  • S. Durukanoglu, A. Kara and T.S. Rahman The role of lattice vibrations in adatom diffusion at metal stepped surfaces, Surf. Sci. 587, 128 (2005). read
  • O. Trushin, A. Kara, T. S. Rahman Self-learning kinetic Monte Carlo technique for simulation of surface phenomena, Phys. Rev. B. 72, 115401 (2005). read
  • S. Stolbov, S. Hong, A. Kara, and T. S. Rahman First principles calculations of the path to C induced reconstruction of Ni(100), Phys. Rev. B. 72, 155423 (2005). read
  • T. S. Rahman, A. Kara, A. Karim, O. Trushin Cluster diffusion and coalescence on metal surfaces: applications of a Self-learning Kinetic Monte-Carlo method, Proc. MRS Annual Meeting (JJ), Eds. J. Evans and M. Asta (Cond- mat/0501414) (2005). read
  • C. Ghosh, A. Kara, T. S. Rahman Diffusion of two dimensional Cu islands on Cu(111), Landau’s Workshop series (2004 ). read
  • S. Hong, A. Kara, T. S. Rahman, R. Heid, and K. P. Bohnen Ab initio calculations of adsorbate induced Stress on Ni(100), Phys. Rev. B 69, 195403 (2004). read
  • A. Al-Rawi, A. Kara, and T. S. Rahman Theoretical study of the structure and vibrational dynamics of Cu3Au(511), J. Phys.: Condens. Matter 16, S2967, (2004). read
  • T. S. Rahman, A. Kara, and S. Durukanoglu Structural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces, J. Phys.: Condens. Matter 15, S3197 (2004). read
  • T. S. Rahman, C. Ghosh, O. Trushin, A. Kara, and A. Karim Atomistic Studies of Thin Film Growth, Proc. SPIE Annual Meeting 2004, 5509, 1 (2004). read

2001-2003

  • A. Kara, A. Al-Rawi, and T. S. Rahman Vibrational dynamics and excess entropy of multi-grain nanoparticles, J. Comp. and Theo. Nanoscience 1, 216 (2004). read
  • F. Baumberger, Th. Herrman, A. Kara, S. Stolbov. N. Esser, T. S. Rahman, J. Osterwalder, W. Richter, and T. Greber Optical recognition of atomic steps on surfaces, Phys. Rev. Lett. 90, 177402 (2003). read
  • S. Durukanoglu, A. Kara, and T.S. Rahman Excess and Local Thermodynamic Properties of Stepped Metal Surfaces, Phys. Rev. B67, 235405 (2003). read
  • T. S. Rahman, A. Kara, and S. Durukanoglu Structural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces, J. Phys. Condensed Matter, 15, S3197 (2003). read
  • R. Heid, A. Kara, K. P. Bohnen, and T. S. Rahman Ab initio Calculations of Multilayer Relaxations of Stepped Cu Surfaces, Phys. Rev. B. 65, 115405 (2002). read
  • S.V. Stolbov, A. Kara, and T. S. Rahman Electronic Structure of the c(2×2)O/Cu(001) System, Phys. Rev. B. 66, 245405 (2002). read
  • A. Kara and T.S. Rahman, Phonons of metallic vicinal surfaces, Surf. Sci. 502-503, 449, (2002). read
  • C. Ghosh, A. Kara, and T.S. Rahman Theoretical aspects of vertical and lateral manipulation of atoms, Surf. Sci. 502-503, 519, (2002). read
  • A. Al-Rawi, A. Kara and T. S. Rahman Comparative Study of Anharmonic Effects on Ag(111), Cu(111), and Ni(111), Phys. Rev. B. 66, 165439 (2002).read
  • A. Al-Rawi, C. Ghosh, P. Staikov, A. Kara, and T. S. Rahman Validity of the Quasiharmonic Analysis for Surface Thermal Expansion of Ag(111), Phys. Rev. Lett. 86, 2074 (2001).read
  • A. Karim, A. Kara, A. Al-Rawi and T. S. Rahman Diffusion Paths, Barriers and Prefactors: Ag clusters on Ag(111), in Collective Diffusion on Surfaces:Correlation Effects and Adatom Interactions, edts M.C.Tringides and Z. Chvoj (Kluwer 2001).

1997-2000

  • A. Al-Rawi, A. Kara and T.S. Rahman Anharmonic Effects on Ag(111): A Molecular Dynamics Study, Surface Science 446, 17 (2000).read
  • A. Kara, P. Staikov, T.S. Rahman, J. Radnik, R. Biage and H.J. Ernst High Frequency Phonon Modes on Stepped and Kinked Cu Surface: Experiment and Theory, Phys. Rev. B 61, 5714 (2000).read
  • W. Fei, A. Kara, and T.S. Rahman Contributions of Vibrational Dynamics to the Local and Excess Thermodynamic Properties of Cu3Au Surfaces, Phys. Rev. B 61, 16105 (2000).read
  • A. Kara and T.S. Rahman Vibrational Dynamics and Thermodynamics of Metallic Nanocrystallines, Phys. Rev. Lett. 81, 1453 (1998). read
  • U. Kurpick, A. Kara, and T. S. Rahman, Reply to comment, Phys. Rev. Lett. 80, 204 (1998).read
  • S. Durukanoglu, A. Kara and T.S. Rahman Local Vibrational and Structured Properties of Stepped Surfaces: Cu(331), Cu(211) and Cu(511), Phys. Rev. B 55, 13894 (1997).read
  • A. Kara, P. Staikov, A. Al-Rawi and T.S. Rahman Thermal Expansion of Ag(111), Phys. Rev. B 55, R13440 (1997).read
  • P. Staikov, A. Kara and T.S. Rahman First Principles Studies of the Thermodynamics Properties of Bulk Li, J. Phys.: Condensed Matter 9, 2135 (1997).read
  • U. Kurpick, A. Kara and T.S. Rahman The Role of Lattice Vibrations in Adatom Diffusion, Phys. Rev. Lett. 78, 1086 (1997).read
  • A. Kara, S. Durukanoglu and T.S. Rahman Vibrational Dynamics and Thermodynamics of Ni(977), J. Chem. Phys. 106, 2031 (1997).read
  • S. Durukanoglu, A. Kara and T.S. Rahman Vibrational Modes and Relative Stability of Stepped Surfaces of Copper, in Surface Diffusion: Atomistic and Collective Processes, NATO-ASI Series, ed. M.C. Tringides, Plenum, NY, (1997).

1990-1996

  • A. Kara, S. Durukanoglu, and T. S. Rahman Local thermodynamic properties of a stepped metal surface: Cu(711), Phys. Rev. B 53, 15489-15492 (1996).read
  • A. Kara, C. S. Jayanthi, S. Y. Wu, and F. Ercolessi Structure and dynamics of the reconstructed Au(511), Phys. Rev. B 51, 17046-17062 (1995).read
  • A. Kara, C. S. Jayanthi, S. Y. Wu, and F. Ercolessi Local analysis of the dynamics of the relaxed and reconstructed Au(511) surface using the real space Green’s function method, Phys. Rev. Lett. 72, 2223-2226 (1994).read
  • R.J. Smith, A. Kara and S. Holloway A molecular dynamics study for the trapping and the scattering of Ar/Pt(111), Surf. Sci. 281, 296 (1993).read
  • R.J. Smith, A. Kara and S. Holloway Surface temperature effects of the trapping of Ar on Pt(111), Surf. Sci. 269/270, 158 (1992). read
  • R.J. Smith, A. Kara and S. Holloway The loss of memory in the trapping of Ar/Pt(111), J. Chem. Phys. 94, 806 (1991). read
  • A. E. DePristo and A. Kara Molecule-Surface scattering and reaction dynamics, Advances in Chem. Phys. 77, 163 (1990). read
  • A. Kara and A. E. DePristo On the concept and distribution of reactive sites in dissociative chemisorption, J. Chem. Phys. 92, 5653 (1990). read

1985-1988

  • A. Kara and A. E. DePristo Dissociative chemisorption in the N2/W(110) system : rotational state and angular momentum polarization dependence, J. Chem. Phys. 88, 5240 (1988). read
  • A. Kara and A. E. DePristo, Dynamics of dissociative chemisorption : N2/W(110), Surf. Sci. 193, 437 (1988). read
  • A. Kara and A. E. DePristo Potential energy surface morphology and the variation of dissociative chemisorption probabilities with kinetic energy and angle: N2/(W(110), J. Chem. Phys. 88, 2033 (1988). read
  • N.K. Mahale, A. Kara, M. W. Cole, and C. Shwartz Temperature dependence of helium scattering by an ordered film, Solid State Comm. 62, 225 (1987). read
  • S. Chung, A. Kara, J. Larese, W. Leung and D. R. Frankl Commensurate-incommensurate transition of monolayer krypton on graphite by helium-atom scattering, Phys. Rev. B 35, 4870 (1987). read
  • S. Chung, A. Kara, and D. R. Frankl Re-determination of bound state resonance energies in He/graphite scattering, Surf. Sci. 171, 45 (1986). read
  • A. Kara Contribution a l’etude experimentale et theorique de la diffusion elastique d’atomes neutres par des surfaces periodiques et des surfaces avec des defauts isoles, Ph.D, Thesis, Universite de Lille, France (1985). read
  • A. Kara and G. Armand Elastic scattering of neutral particles from a surface with isolated defects using soft Potentials, Surf. Sci. 152/153, 77 (1985). read

1983-1984

  • D. Gorse, B. Salanon, F. Fabre, A. Kara, J. Perreau, G. Armand and J. Lapujoulade Diffraction of Helium from Cu Vicinal Surfaces, Surf. Sci. 147, 611 (1984). read
  • B. Salanon, J. Lapujoulade, G Armand, F. Fabre, A. Kara, and D. Gorse Proceedings of the 10th Colloque Sur la Physique de Collision Atomiques et Electroniques, Aussois (1984). read
  • J. Lapujoulade, J. Perreau, and A. Kara The thermal attenuation of elastic scattering of helium from copper single crystal Surfaces, Surf. Sci. 129, 59 (1983). read