Laurent Pizzagalli scientific production

Full scientific production

    2022

  1. Mechanical properties of C60 at finite temperature from first-principles calculations
    L. Pizzagalli
    Diamond & Related Materials 123, 108870 (2022) [www,pdf]

  2. 2021

  3. Surface stress calculations for nanoparticles and cavities in aluminum, silicon, and iron: influence of pressure and validity of the Young-Laplace equation
    L. Pizzagalli and M.-L. David
    Materials Theory 5, 5 (2021) [www,pdf]

  4. Modeling the mechanical properties of nanoparticles: a review
    J. Amodeo and L. Pizzagalli
    Comptes Rendus Physique (2021) [www,pdf]

  5. Accurate values of 3C, 2H, 4H, and 6H SiC elastic constants using DFT calculations and heuristic errors corrections
    L. Pizzagalli
    Philos. Mag. Letters 101, 242 (2021) [www,pdf]

  6. 2020

  7. Stacking fault formation created by plastic deformation at low temperature and small scales in silicon
    L. Pizzagalli, J. Godet, S. Brochard, H. Gotsis, and T. Albaret
    Phys. Rev. Materials 4, 093603 (2020) [www,pdf]

  8. Finite-temperature mechanical properties of nanostructures with first-principles accuracy
    L. Pizzagalli
    Phys. Rev. B 102, 094102 (2020) [www,pdf]

  9. Atomic and electronic structures of a vacancy in amorphous silicon
    A. Pedersen, L. Pizzagalli and H. Jónsson
    Phys. Rev. B 101, 054204 (2020) [www,pdf]

  10. Atomistic simulations of a helium bubble in silicon carbide
    L. Pizzagalli and M.-L. David
    J. Nucl. Materials 531, 151990 (2020) [www,pdf]

  11. 2019

  12. Core properties and the role of screw dislocations in the bulk n-type conductivity in InN
    I. Belabbas, L. Pizzagalli, J. Kioseoglou, and J. Chen
    Phys. Chem. Chem. Phys. 21, 15767-15778 (2019) [www,pdf]

  13. Mechanical Properties of Amorphous Silicon Nanoparticles
    D. Kilymis, C. Gérard, and L. Pizzagalli
    In: The Minerals, Metals & Materials Series (eds) TMS 2019 148th Annual Meeting & Exhibition Supplemental Proceedings. The Minerals, Metals & Materials Series. Springer, Cham (2019) [www,pdf]

  14. A Fully Molecular Dynamics-based Method for Modeling Nanoporous Gold
    M. Guillotte, J. Godet, and L. Pizzagalli
    Comput. Mat. Sci. 161, 135 (2019) [www,pdf]

  15. Molecular dynamics study of mechanical behaviour of gold-silicon core-shell nanowires under cyclic loading
    M. Guillotte, J. Godet, and L. Pizzagalli
    Materialia 5, 100204 (2019) [www,pdf]

  16. Ductile deformation of core-shell Si--SiC nanoparticles controlled by shell thickness
    D. Kilymis, C. Gérard, and L. Pizzagalli
    Acta Materialia 164, 560 (2019) [www,pdf]
  17. 2018

  18. Atomic scale mechanisms and brittle to ductile transition at low size in silicon
    S. Brochard, F. Abed El Nabi, L. Pizzagalli, A. Merabet, M. Texier, C. Tromas, and J. Godet
    Materials Today: Proceedings 5, 14693 (2018) [www,pdf]

  19. Atomistic modeling of point defect contributions to swelling in Xe-implanted silicon carbide
    L. Pizzagalli
    J. Nucl. Materials 512, 349 (2018) [www,pdf]

  20. Low-temperature intrinsic plasticity in silicon at small scales
    A. Merabet, M. Texier, C. Tromas, S. Brochard, L. Pizzagalli, L. Thilly, J. Rabier, A. Talneau, Y.-M. Le Vaillant, O. Thomas, and J. Godet
    Acta Materialia 161, 54 (2018) [www,pdf]

  21. Uniaxial compression of silicon nanoparticles: An atomistic study on the shape and size effects
    D. Kilymis, C. Gérard, J. Amodeo, U.V. Waghmare, and L. Pizzagalli
    Acta Materialia 158, 155 (2018) [www,pdf]

  22. First principles calculations of threading screw dislocations in AlN and InN
    L. Pizzagalli, I. Belabbas, J. Kioseoglou, and J. Chen
    Phys. Rev. Materials 2, 064607 (2018) [www,pdf]

  23. Evolution of the properties of helium nanobubbles during in situ annealing probed by spectrum imaging in the transmission electron microscope
    K. Alix, M.-L. David, J. Dérès, C. Hébert, and L. Pizzagalli
    Phys. Rev. B 97, 104102 (2018) [www,pdf]

  24. Influence of strain on dislocation core in silicon
    L. Pizzagalli, J. Godet, and S. Brochard
    Philos. Mag. 98, 1151 (2018) [www,pdf]

  25. 2017

  26. Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001)
    E. Maras, L. Pizzagalli, T. Ala-Nissila, and H. Jónsson
    Scientific Reports 7, 11966 (2017) [www,pdf]

  27. Properties of helium bubbles in covalent systems at the nanoscale: A combined numerical and experimental study
    J. Dérès, M.-L. David, K. Alix, C. Hébert, D. T. L. Alexander, and L. Pizzagalli
    Phys. Rev. B 96, 014110 (2017) [www,pdf]

  28. Optimal atomic structure of amorphous silicon obtained from density functional theory calculations
    A. Pedersen, L. Pizzagalli, and H. Jónsson
    New Journal of Physics 19, 063018 (2017) [www,pdf]

  29. Lithiation of silicon nanoclusters
    A. Pedersen, M. Bieri, M. Luisier, and L. Pizzagalli
    Phys. Rev. Appl. 7, 054012 (2017) [www,pdf]

  30. Influence of surface atomic structure on the mechanical response of aluminium nanospheres under compression
    S. Bel Haj Salah, C. Gérard, and L. Pizzagalli
    Comput. Mat. Sci. 129, 273 (2017) [www,pdf]

  31. Ab initio modeling of dislocation core properties in metals and semi-conductors
    D. Rodney, L. Ventelon, E. Clouet, L. Pizzagalli, and F.~Willaime
    Acta Materialia 124, 633 (2017) [www,pdf]

  32. Density functional theory calculations of helium clustering in mono-, di-, and hexa-vacancy in silicon
    L. Pizzagalli, M.-L. David, and J. Dérès
    Phys. Stat. Solidi (a) 214, 1700263 (2017) [www,pdf]

  33. 2016

  34. Uniform tensile elongation in Au-Si core-shell nanowires
    J. Godet, C. Furgeaud, L. Pizzagalli, and M. Demkowicz
    Extreme Mechanics Letters 8, 151 (2016) [www,pdf]

  35. Onset of plasticity in zirconium in relation with hydrides precipitation
    W. Szewc, L. Pizzagalli, S. Brochard, and E. Clouet
    Acta Materialia 114, 126 (2016) [www,pdf]

  36. Atomistic modeling of the dissociation of a screw dislocation in silicon
    L. Pizzagalli
    J. Mat. Sciences 51, 2869 (2016) [www,pdf]

  37. 2015

  38. Migration of noble gas atoms in interaction with vacancies in silicon
    L. Pizzagalli and A. Charaf Eddin
    Semicond. Sci. Technol. 30, 085022 (2015) [www,pdf]

  39. Gentle quantitative measurement of helium density in nanobubbles in silicon by spectrum imaging
    K. Alix, M.-L. David, G. Lucas, D.T.L. Alexander, F. Pailloux, C. Hébert, and L. Pizzagalli
    Micron 77, 57 (2015) [www,pdf]

  40. Surface effects on the mechanical behavior of silicon nanowires - Consequence on the brittle to ductile transition at low scale and low temperature
    J. Godet, F. Abed El Nabi, S. Brochard, and L. Pizzagalli
    Phys. Stat. Solidi A 212, 1643 (2015) [www]

  41. On the dislocation core structures associated to point defect clusters formation in diamond and silicon
    J. Rabier, F. Pailloux, and L. Pizzagalli
    Phys. Stat. Solidi C 12, 1067 (2015) [www]

  42. Mechanical behavior of nanoparticles: Elasticity and plastic deformation mechanisms
    C. Gérard and L. Pizzagalli
    Pramana - Indian J. Physics 84, 1041 (2015) [www,pdf]

  43. Investigation of helium interstitials aggregation in silicon: Why bubbles formation by a self-trapping mechanism does not work
    L. Pizzagalli, M.-L. David, and A. Charaf-Eddin
    Nucl. Instrum. Methods Phys. Res. B 352, 152 (2015) [www,pdf]

  44. Onset of ductility and brittleness in silicon nanowires mediated by dislocation nucleation
    F. Abed El Nabi, J. Godet, S. Brochard, and L. Pizzagalli
    Modelling Simul. Mater. Sci. Eng. 23, 025010 (2015) [www,pdf]

  45. 2014

  46. Numerical simulations and modeling of the stability of noble gas atoms in interaction with vacancies in silicon
    L. Pizzagalli, A. Charaf-Eddin and S. Brochard
    Comput. Mat. Sciences 95, 149 (2014) [www,pdf]

  47. Stability and mobility of screw dislocations in 4H, 2H and 3C silicon carbide
    L. Pizzagalli
    Acta Materialia 78, 236 (2014) [www,pdf]

  48. In situ controlled modification of the helium density in single helium-filled nanobubbles
    M.-L. David, K. Alix, F. Pailloux, V. Mauchamp, M. Couillard, G.A. Botton and L. Pizzagalli
    J. Appl. Phys. 115, 123508 (2014) [www,pdf]

  49. 2013

  50. A family of low-energy low-density silicon allotropes built from the diamond structure
    L. Pizzagalli
    Europhys. Lett. 104, 56005 (2013) [www,pdf]

  51. Properties of threading screw dislocation core in wurtzite GaN studied by Heyd-Scuseria-Ernzerhof hybrid functional
    M. Matsubara, J. Godet, L. Pizzagalli and E. Bellotti
    Appl. Phys. Lett. 103, 262107 (2013) [www,pdf]

  52. Molecular dynamics simulation of the initial stages of He bubbles formation in silicon
    L. Pizzagalli, M.-L. David and M. Bertolus
    Model. Simul. Mat. Sci. Eng. 21, 065002 (2013) [www,pdf]

  53. A new parametrisation of the Stillinger-Weber potential for an improved description of defects and plasticity of silicon
    L. Pizzagalli, J. Godet, J. Guénolé, S. Brochard, E. Holmstrom, K. Nordlund and T. Albaret
    J. Phys. Cond. Matt. 25, 055801 (2013) [www,pdf]

  54. 2012

  55. First principles calculation of noble gas atoms properties in 3C–SiC"
    A. Charaf Eddin and L. Pizzagalli
    J. Nuclear Materials 429, 329 (2012) [www,pdf]

  56. First-principles calculations of helium and neon desorption from cavities in silicon"
    A. Charaf Eddin and L. Pizzagalli
    J. Phys. Cond. Matt. 24, 175006 (2012) [www,pdf]

  57. 2011

  58. Comment on "Bulk dislocation core dissociation probed by coherent x-rays in silicon"
    L. Pizzagalli, J. Rabier, J. Godet, B. Devincre, and L. Kubin
    Phys. Rev. Lett. 107, 199601 (2011) [www,pdf]

  59. In situ probing of helium desorption from individual nanobubbles under electron irradiation at low temperature
    M.-L. David, F. Pailloux, V. Mauchamp, and L. Pizzagalli
    Appl. Phys. Lett. 98, 171903 (2011) [www,pdf]

  60. Dislocation cores in silicon: new aspects from numerical simulations
    L. Pizzagalli, J. Godet, J. Guénolé, S. Brochard
    Journal of Physics: Conference Series 281, 012002 (2011) [www,pdf]

  61. Dislocation dipole annihilation in diamond and silicon
    J. Rabier and L. Pizzagalli
    Journal of Physics: Conference Series 281, 012025 (2011) [www,pdf]

  62. La déformation plastique des matériaux en mode virtuel
    L. Pizzagalli, S. Brochard, J. Godet, and J. Durinck
    Microscoop - CNRS Poitou-Charentes 62, 18 (2011) [www,pdf]

  63. Mechanical Properties of Nanowires Investigated by Simulations
    J. Godet, J. Guénolé, S. Brochard, and L. Pizzagalli
    in Mechanics of Nano-Objects, eds O. Thomas, A. Ponchet and S. Forest (Les Presses de l'Ecole des Mines de Paris, 2011) [www]

  64. Onset of Plasticity in Crystalline Nanomaterials
    L. Pizzagalli, S. Brochard, Julien Godet
    in Mechanical Stress on the Nanoscale, eds M. Hanbuecken, P. Mueller, and R.B. Wehrspohn (Wiley, 2011) [www,pdf]

  65. 2010

  66. Theoretical study of hydrogen stability and aggregation in dislocation cores in silicon
    M. Matsubara, J. Godet and L. Pizzagalli
    Phys. Rev. B 82, 024107 (2010) [www,pdf]

  67. Determination of activation parameters for the core transformation of the screw dislocation in silicon
    J. Guénolé, J. Godet and L. Pizzagalli
    Model. Simul. Mat. Sci. Eng. 18, 065001 (2010) [www,pdf]

  68. Elastic limit for surface step dislocation nucleation in face-centered cubic metals: temperature and step height dependence
    S. Brochard, P. Hirel, L. Pizzagalli and J. Godet
    Acta Mat. 58, 4182 (2010) [www,pdf]

  69. Investigation of the interaction between hydrogen and screw dislocation in silicon by first principles calculations
    M. Matsubara, J. Godet and L. Pizzagalli
    J. Phys.: Condens. Matter 22, 035803 (2010) [www,pdf]

  70. Quantitative HRTEM Investigation of Nanoplatelets
    F. Pailloux, M.-L. David and L. Pizzagalli
    Micron 41, 135 (2010) [www,pdf]

  71. An Environment-Dependent Interatomic Potential for silicon carbide: Calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures
    G. Lucas, M. Bertolus and L. Pizzagalli
    J. Phys.: Condens. Matter 22, 035802 (2010) [www,pdf]

  72. Computation of transition states for extended defects in materials science: issues and challenges from selected exemples
    L. Pizzagalli, J. Godet, S. Brochard, A. Pedersen, A. Arnaldsson, H. Jónsson
    extended abstract for Para 2010: State of the Art in Scientific and Parallel Computing Reykjavik, Iceland (June 5-8 2010) [pdf]

  73. Dislocations in silicon at high stress
    J. Rabier, L. Pizzagalli and J.-L. Demenet
    in Dislocation in solids 16, chap. 93, p 47, eds. L. Kubin and J. P. Hirth, (Elsevier, 2010) [www,pdf]

  74. 2009

  75. Glissile dislocations with transient cores in silicon
    L. Pizzagalli, J. Godet, and S. Brochard
    Phys. Rev. Lett. 103, 065505 (2009) [www,pdf]

  76. Atomic scale structure of (001) hydrogen-induced platelets in germanium
    M.-L. David, L. Pizzagalli, F. Pailloux, and J.-F. Barbot
    Phys. Rev. Lett. 102, 155504 (2009) [www,pdf]

  77. Dislocation nucleation from surface step in silicon: the glide set versus the shuffle set
    J. Godet, P. Hirel, S. Brochard, and L. Pizzagalli
    Phys. Stat. Sol (a) 206, 1885 (2009) [www,pdf]

  78. Evidence of Two Plastic Regimes Controlled by Dislocation Nucleation in Silicon Nanostructures
    J. Godet, P. Hirel, S. Brochard, and L. Pizzagalli
    J. Appl. Phys. 105, 026104 (2009) [www,pdf]

  79. Theoretical study of pressure effect on the dislocation core properties in semiconductors
    L. Pizzagalli, J.-L. Demenet and J. Rabier
    Phys. Rev. B 79, 045203 (2009) [www,pdf]

  80. Finding mechanism of transitions in complex systems: Formation and migration of dislocation kinks in a silicon crystal
    A. Pedersen, L. Pizzagalli and H. Jónsson
    J. Phys: Condens. Matter 21, 084210 (2009) [www,pdf]

  81. DFT calculation of the stability and mobility of noble gas atoms in silicon
    A. Charaf-Eddin, G. Lucas, M.-F. Beaufort and L. Pizzagalli
    Comput. Mat. Sci. 44, 1030 (2009) [www,pdf]

  82. 2008

  83. Solid-phase epitaxial regrowth of amorphous silicon containing helium bubbles
    M.-F. Beaufort, L. Pizzagalli, A. S. Gandy, E. Oliviero, D. Eyidi, and S. E. Donnelly
    J. Appl. Phys. 104, 094905 (2008) [www,pdf]

  84. Determination of activation parameters for dislocation formation from a surface in fcc metals by atomistic simulations
    P. Hirel, J. Godet, S. Brochard, L. Pizzagalli and P. Beauchamp
    Phys. Rev. B 78, 064109 (2008) [www,pdf]

  85. Helium implanted Gallium Nitride Evidence of gas-filled rod-shaped cavity formation along the c-axis
    J.-F. Barbot, F. Pailloux, M.-L. David, L. Pizzagalli, E. Oliviero and G. Lucas
    J. Appl. Phys. 104, 043526 (2008) [www,pdf]

  86. Dislocation motion in silicon: the shuffle-glide controversy revisited
    L. Pizzagalli, and P. Beauchamp
    Philos. Mag. Lett. 88, 421 (2008) [www,pdf]

  87. Theoretical study of kinks on screw dislocation in silicon
    L. Pizzagalli, A. Pedersen, A. Arnaldsson, H. Jónsson and P. Beauchamp
    Phys. Rev. B 77, 064106 (2008) [www,pdf]

  88. Calculations of dislocation mobility using nudged elastic band method and first principles DFT calculations
    L. Pizzagalli, P. Beauchamp and H. Jónsson
    Philos. Mag. 88, 91 (2008) [www,pdf]

  89. Extended Defects Created By Light Ion Implantation In Germanium
    M.L. David, J.F. Barbot, S. Rousselet, F. Pailloux, D. Babonneau, M.F. Beaufort, L. Pizzagalli, M. Drouet, E. Simoen and C. Claeys
    ECS Transactions 16, 163 (2008) [www,pdf]

  90. First-principles simulations of Frenkel pair formation and annealing in irradiated β-SiC
    L. Pizzagalli and G. Lucas
    Solid State Phenomena 131-133, 247 (2008) [www,pdf]

  91. 2007

  92. Effects of temperature and surface step on the incipient plasticity in strained aluminum studied by atomistic simulations
    P. Hirel, S. Brochard, L. Pizzagalli and P. Beauchamp
    Scripta Mat. 57, 1141 (2007) [www,pdf]

  93. Theoretical study of the recombination of Frenkel pairs in irradiated silicon carbide
    G. Lucas and L. Pizzagalli
    J. Phys.: Condens. Matter 19, 086208 (2007) [www,pdf]

  94. Structure and stability of irradiation-induced Frenkel pairs in 3C-SiC using first principle calculations
    G. Lucas and L. Pizzagalli
    Nucl. Inst. Meth. Phys. Res. B 255, 124 (2007) [www,pdf]

  95. Nucléation de dislocations à partir de surfaces : étude par simulations 3D à l'échelle atomique
    S. Brochard, P. Hirel, J. Godet, L. Pizzagalli and P. Beauchamp
    Interfaces : de l'atome au polycristal p 47 (2007) Actes du 1er colloque Matériaux, Mécanique, Microstructures (3M) INSTN (14-15 juin 2006) - Edités par O. Hardouin Duparc, Ecole Polytechnique

  96. Structure and phase transition in nanocrystals
    J.-C. Niepce and L. Pizzagalli
    in Nanomaterials and nanochemistry, eds. C. Bréchignac and P. Houdy and M. Lahmani (Springer, Berlin, 2007) [www]

  97. 2006

  98. Dislocation formation from a surface step in semiconductors: An ab initio study
    J. Godet, S. Brochard, L. Pizzagalli and P. Beauchamp
    Phys. Rev. B 73, 092105 (2006) [www,pdf]

  99. Transition de phase et thermodynamique
    J.-C. Niepce and L. Pizzagalli
    in Nanosciences tome 2: Nanomatériaux et nanochimie, eds. P. Houdy, C. Bréchignac and M. Lahmani (Belin, Paris, 2006) [www]

  100. 2005

  101. Ab initio molecular dynamics calculations of threshold displacement energies in silicon carbide
    G. Lucas and L. Pizzagalli
    Phys. Rev. B 72, 161202R (2005) [www,pdf]

  102. Stability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulations
    L. Pizzagalli, P. Beauchamp and J. Rabier
    Europhys. Lett. 72, 410 (2005) [www,pdf]

  103. Comparison of threshold displacement energies in β-SiC determined by classical potentials and ab initio calculations
    G. Lucas and L. Pizzagalli
    Nucl. Inst. Meth. Phys. Res. B 229, 359 (2005) [www,pdf]

  104. Ab initio investigations of threshold displacement energies and stability of associated defects in cubic silicon carbide
    G. Lucas and L. Pizzagalli
    Solid State Phenomena 108-109, 671 (2005) [www,pdf]

  105. A theoretical study of dislocation formation at surfaces in covalent materials: effect of step geometry and reactivity
    S. Brochard, J. Godet, L. Pizzagalli and P. Beauchamp
    Solid State Phenomena 108-109, 193 (2005) [www,pdf]

  106. 2004

  107. First principles determination of the Peierls stress of the shuffle screw dislocation in silicon
    L. Pizzagalli and P. Beauchamp
    Philos. Mag. Lett. 84, 729 (2004) [www,pdf]

  108. Theoretical study of dislocation nucleation from simple surface defects in semiconductors
    J. Godet, L. Pizzagalli, S. Brochard and P. Beauchamp
    Phys. Rev. B 70, 054109 (2004) [www,pdf]

  109. Probing the Electronic Density of States of Germanium Nanoparticles: A Method for Determining Atomic Structure
    A. J. Williamson, C. Bostedt, T. van Buuren, T. M. Willey, L. J. Terminello, G. galli and L. Pizzagalli
    Nano Letters 4, 1041 (2004) [www,pdf]

  110. Computational engineering of the stability and optical gaps of SiC quantum dots
    F. Reboredo, L. Pizzagalli and G. Galli
    Nano Letters 4, 801 (2004) [www,pdf]

  111. Computer study of microtwins forming from surface steps of silicon
    J. Godet, L. Pizzagalli, S. Brochard and P. Beauchamp
    Comput. Mat. Sci. 30, 16 (2004) [www,pdf]

  112. Classical Atomistic Simulations in Materials Sciences: An Introduction
    L. Pizzagalli
    Medžiagotyra (Materials Science) 10, 125 (2004) [www,pdf]

  113. First Principles Simulations of Extended Defects at Cubic SiC Surfaces and Interfaces
    A. Catellani, G. Cicero, G. Galli and L. Pizzagalli
    Solid State Phenomena 95-96, 415 (2004) [www,pdf]

  114. 2003

  115. Theoretical investigation of a highly mismatched interface: SiC/Si(001)
    L. Pizzagalli, G. Cicero and A. Catellani
    Phys. Rev. B 68, 195302 (2003) [www,pdf]

  116. Comparison between classical potentials and ab initio methods for silicon under large shear
    J. Godet, L. Pizzagalli, S. Brochard and P. Beauchamp
    J. Phys.: Condens. Matter 15, 6943 (2003) [www,pdf]

  117. Theory of single atom manipulation with a scanning probe tip: force signatures, constant-height and constant-force scans
    L. Pizzagalli, and A. Baratoff
    Phys. Rev. B 68, 115427 (2003) [www,pdf]

  118. Undissociated screw dislocations in silicon: Calculations of core structure and energy
    L. Pizzagalli, P. Beauchamp and J. Rabier
    Philos. Mag. 83, 1191 (2003) [www,pdf]

  119. Atomistic simulation of dislocation generation at surface steps in metals and silicon
    S. Brochard, J. Godet, L. Pizzagalli, and P. Beauchamp
    Proceedings of the IUTAM symposium on Mesoscopic Dynamics in Fracture Process and Strength of Materials, Osaka (Kluwer Academic Publisher, 2003) [www,pdf]

  120. 2002

  121. Ab initio study of misfit dislocations at the SiC/Si(001) interface
    G. Cicero, L. Pizzagalli, and A. catellani
    Phys. Rev. Lett. 89, 156101 (2002) [www,pdf]

  122. Surface step effects on Si(100) under uniaxial tensile stress, by atomistic calculations
    J. Godet, L. Pizzagalli, S. Brochard, and P. Beauchamp
    Scripta Materialia 47, 481 (2002) [www,pdf]

  123. Stability and core structure of undissociated screw dislocations in group IV materials by atomistic calculations
    L. Pizzagalli, P. Beauchamp and J. Rabier
    J. Phys: Condens. Matter 14, 12681 (2002) [www,pdf]

  124. A molecular dynamics study of the β-SiC/Si(001) interface
    G. Cicero, L. Pizzagalli and A. Catellani
    J. Phys: Condens. Matter 14, 13031 (2002) [www,pdf]

  125. Surface reconstruction effects on atomic properties of semiconducting nanoparticles
    L. Pizzagalli and G. Galli
    Mat. Sci. and Eng. B 96, 86 (2002) [www,pdf]

  126. Si and H adsorption on the silicon terminated β-SiC(001) surface: an ab-initio study
    A. Catellani, L. Pizzagalli and G. Galli
    Mat. Sci. and Eng. B 96, 132 (2002) [www,pdf]

  127. Structural and Electronic Properties of Quantum Dot Surfaces
    G. Galli, A. Puzder, A.J. Williamson, J.C. Grossman, and L. Pizzagalli
    Proceedings of International Conference on Computational Nanoscience and Nanotechnology, (ICCN 2002), 255 (2002) [pdf]

  128. A molecular dynamics study of the β-SiC/Si(001) interface
    G. Cicero, L. Pizzagalli and A. Catellani
    Proceedings of the II National Meeting on Silicon Carbide, CNR-MASPEC, Parma, Italy (March 18 - 19, 2002)

  129. 2001

  130. Ab initio calculations of the H-induced surface restructuring on β-SiC(001)-(3 × 2)
    L. Pizzagalli and A. Catellani
    Surf. Sci. 494/2, 53 (2001) [www,pdf]

  131. Structure and stability of germanium nanoparticles
    L. Pizzagalli, G. Galli, J.E. Klepeis and F. Gygi
    Phys. Rev. B 63, 165324 (2001) [www,pdf]

  132. 2000

  133. Theoretical study of Si and N adsorption on the Si-terminated SiC(001) surface
    L. Pizzagalli, A. Catellani, G. Galli, F. Gygi and A. Baratoff
    Surf. Rev. Lett. 6, 1143 (2000) [www,pdf]

  134. Physical properties of cubic SiC (001) surfaces from first-principles simulations
    G. Galli, L. Pizzagalli, A. Catellani, F. Gygi and A. Baratoff
    Appl. Surf. Sci. 162, 1 (2000) [www,pdf]

  135. 1999

  136. Theoretical study of the (3 × 2) reconstruction of β-SiC(001)
    L. Pizzagalli, A. Catellani, G. Galli, F. Gygi and A. Baratoff
    Phys. Rev. B 60, R5129 (1999) [www,pdf]

  137. Conductance of a finite missing hydrogen atomic line on Si(001)-(2 × 1)-H
    P. Doumergue, L. Pizzagalli, C. Joachim, A. Altibelli and A. Baratoff
    Phys. Rev. B 59, 15910 (1999) [www,pdf]

  138. Comment on "Missing-row asymmetric dimer reconstruction of SiC(001)-c(4 × 2)"
    P. Soukiassian, V. Yu. Aristov, L. Douillard, F. Semond, A. Mayne, G. Dujardin, L. Pizzagalli, C. Joachim, B. Delley and E. Wimmer
    Phys. Rev. Lett. 82, 3721 (1999) [www,pdf]

  139. 1998

  140. Theoretical study of the resistance of short (Xe)n wires within an STM junction: the (Xe)2 case
    L. Pizzagalli, C. Joachim, X. Bouju and Ch. Girard
    Appl. Phys. A 66, S875 (1998) [www,pdf]

  141. Reconstruction of the Si-terminated β-SiC(100) surface
    L. Pizzagalli, C. Joachim, A. Mayne, G. Dujardin, F. Semond, L. Douillard and P. Soukiassian
    Thin Solid Films 318, 136 (1998) [www,pdf]

  142. 1997

  143. Moving a silver atom on a Si(001) surface with a tip ?
    L. Pizzagalli, J. C. Okon and C. Joachim
    Surf. Sci. Lett. 384, L852 (1997) [www,pdf]

  144. van der Waals atomic trap in a scanning-tunneling-microscope junction: Tip shape, dynamical effects, and tunnel current signatures
    X. Bouju, Ch. Girard, H. Tang, C. Joachim and L. Pizzagalli
    Phys. Rev. B 55, 16498 (1997) [www,pdf]

  145. The resistance of a (Xe)n atomic wire
    L. Pizzagalli, C. Joachim, X. Bouju and Ch. Girard
    Europhys. Lett. 38, 97 (1997) [www,pdf]

  146. Direct Observation of a β-SiC(100)-c(4 × 2) Surface Reconstruction
    P. Soukiassian, F. Semond, L. Douillard, A. Mayne, G. Dujardin, L. Pizzagalli and C. Joachim
    Phys. Rev. Lett. 78, 907 (1997) [www,pdf]

  147. Spin polarization at Fe/Cr interfaces
    L. Pizzagalli, M. Freyss, G. Moraitis, D. Stoeffler, C. Demangeat, H. Dreyssé, A. Vega, S. Miethaner and G. Bayreuther
    J. Appl. Phys. 81, 4347 (1997) [www,pdf]

  148. 1996

  149. Magnetism of 3d transition-metal monolayers and two-dimensional Cr clusters deposited on Fe(001)
    L. Pizzagalli, D. Stoeffler and F. Gautier
    Phys. Rev. B 54, 12216 (1996) [www,pdf]

  150. Magnetism of Fe atoms deposited on W(001) and W(110): a theoretical study of the role of the interplanar relaxation
    L. Pizzagalli, D. Stoeffler and F. Gautier
    J. Magn. Magn. Mat. 154, 213 (1996) [www,pdf]

  151. Onset of c(2×2) ferrimagnetic order in Cr islands deposited on Fe(001) as a function of the island size
    L. Pizzagalli, D. Stoeffler, A. Vega, S. Bouarab, C. Demangeat, H. Dreyssé and F. Gautier, J. Appl. Phys. 79, 5834 (1996) [www]

  152. Spin polarization at Fe/Cr and Mn/Fe interfaces
    C. Demangeat, H. Dreyssé, L. Pizzagalli, D. Stoeffler and G. Moraitis
    in Magnetism, Magnetic Materials and Their Applications, Proceedings of IIIrd Latin American Workshop, eds F. Leccabue and V. Sagredo (World Scientific, 1996), p. 182