Direct evidence for microplastic fracture in single-crystal silicon at ambient temperature, Philosophical Magazine Letters, vol.78, issue.1, p.9, 1998. ,
DOI : 10.1080/095008398178192
On temperature dependence of deformation mechanism and the brittle???ductile transition in semiconductors, Journal of Materials Research, vol.87, issue.07, p.2783, 1999. ,
DOI : 10.1002/(SICI)1521-396X(199805)167:1<89::AID-PSSA89>3.0.CO;2-7
Dislocation Nucleation and Multiplication at Crack Tips in Silicon, physica status solidi (a), vol.38, issue.18, p.67, 1999. ,
DOI : 10.1002/(SICI)1521-396X(199901)171:1<67::AID-PSSA67>3.0.CO;2-T
On transition temperatures in the plasticity and fracture of semiconductors, Philosophical Magazine A, vol.11, issue.5, p.1207, 2001. ,
DOI : 10.1080/14786437708232975
Crack tip dislocations in silicon characterized by high-voltage electron microscopy, Philosophical Magazine A, vol.39, issue.17-18 ,
DOI : 10.1080/14786437508228099
Perfect and partial Frank-Read sources in silicon: A simulation, Philosophical Magazine A, vol.32, issue.8, p.79, 1995. ,
DOI : 10.1063/1.338146
Strain and strain relaxation in semiconductors, Journal of Materials Science Materials in Electronics, vol.8, issue.6, p.337, 1997. ,
DOI : 10.1023/A:1018547625106
Misfit strain and misfit dislocations in lattice mismatched epitaxial layers and other systems, Philosophical Magazine A, vol.15, issue.6, p.751461, 1997. ,
DOI : 10.1088/0022-3719/13/34/008
Dislocation emission at ledges on cracks, Journal of Materials Research, vol.6, issue.03, p.639, 1991. ,
DOI : 10.1557/JMR.1991.0639
On the Nucleation of Dislocations at a Crystal Surface, physica status solidi (b), vol.59, issue.2, p.303, 1993. ,
DOI : 10.1002/pssb.2221800203
Dislocation emission at surfaces. In Thin-Films :- Stresses-and-Mechanical-Properties-V.-Symposium, p.93, 1995. ,
DOI : 10.1557/proc-356-93
Critical configurations for dislocation nucleation from crack tips, Philosophical Magazine A, vol.29, issue.2, p.341, 1997. ,
DOI : 10.1557/JMR.1991.0639
Dislocation loops at crack tips: nucleation and growth??? an experimental study in silicon, Materials Science and Engineering: A, vol.164, issue.1-2, p.118, 1993. ,
DOI : 10.1016/0921-5093(93)90649-Y
Brittle-to-ductile transitions in the fracture of silicon single crystals by dynamic crack arrest, Philosophical Magazine A, vol.215, issue.3, p.699, 2001. ,
DOI : 10.1557/JMR.1991.0639
Selection of crack-tip slip systems in the thermal arrest of cleavage cracks in dislocation-free silicon single crystals, Scripta Materialia, vol.45, issue.11, p.1287, 2001. ,
DOI : 10.1016/S1359-6462(01)01163-0
Observation of twins formed by gliding of successive surface-nucleated partial dislocations in silicon, Philosophical Magazine Letters, vol.74, issue.4, p.241, 1996. ,
DOI : 10.1080/095008396180173
The first stage of stress relaxation in tensile strained in 1?x ga x as 1?y p y films, Phil. Mag. A, issue.6, p.811489, 2001. ,
Role of surface step on misfit dislocation nucleation and critical thickness in semiconductor heterostructures, Materials Science and Engineering: B, vol.31, issue.3, p.299, 1995. ,
DOI : 10.1016/0921-5107(94)01146-X
Atomistic calculation of the interaction between an edge dislocation and a free surface, Philosophical Magazine Letters, vol.78, issue.5, p.377, 1998. ,
DOI : 10.1080/095008398177779
Ledge effects on dislocation emission from a crack tip: A first-principles study for silicon, Philosophical Magazine Letters, vol.73, issue.5, p.233, 1996. ,
DOI : 10.1080/095008396180704
Atomistic models of dislocation formation at crystal surface ledges in Si 1?x Ge x /Si(100) heteroepitaxial thin films, p.349, 1999. ,
Etude de la nucléation de dislocationsàdislocations`dislocationsà partir d'une marche sur la surface libre d'un cristal contraint Dislocation nucleation from surface steps : atomistic simulation in aluminium, p.80503, 1998. ,
Generalized stacking fault energy surfaces and dislocation properties of silicon: A first-principles theoretical study, Philosophical Magazine A, vol.170, issue.6, p.741367, 1996. ,
DOI : 10.1080/01418619508239933
Free energies of generalized stacking faults in Si and implications for the brittle-ductile transition, Physical Review Letters, vol.70, issue.24, p.3752, 1993. ,
DOI : 10.1103/PhysRevLett.70.3752
Atomic and Electronic Structures of Reconstructed Si(100) Surfaces, Physical Review Letters, vol.43, issue.1 ,
DOI : 10.1103/PhysRevLett.43.43
Theoretical study of the Si(100) surface reconstruction, Physical Review B, vol.51, issue.20, p.5114504, 1995. ,
DOI : 10.1103/PhysRevB.51.14504
Stabilities of single-layer and bilayer steps on Si(001) surfaces, Physical Review Letters, vol.59, issue.15, p.1691, 1987. ,
DOI : 10.1103/PhysRevLett.59.1691
The brittle-ductile transition in silicon ,
URL : https://hal.archives-ouvertes.fr/hal-00513679
Nucleation of dislocations from crack tips under mixed modes of loading: Implications for brittle against ductile behaviour of crystals, Philosophical Magazine A, vol.23, issue.2, p.72415, 1995. ,
DOI : 10.1103/PhysRevLett.72.852
The dislocation core in crystalline materials, Solid State and Materials Sciences, 1991. ,
DOI : 10.1103/RevModPhys.60.161
Theory of dislocations, 1982. ,
The size of a dislocation, Proc. Phys. Soc, p.34, 1940. ,
Dislocations in a simple cubic lattice, Proc. Phys. Soc, p.256, 1947. ,
DOI : 10.1088/0959-5309/59/2/309
Computer simulation of local order in condensed phases of silicon, Physical Review B, vol.31, issue.8, p.315262, 1985. ,
DOI : 10.1103/PhysRevB.31.5262
Test of the Peierls-Nabarro model for dislocations in silicon, Physical Review B, vol.52, issue.18, p.13223, 1995. ,
DOI : 10.1103/PhysRevB.52.13223
Core structure of a screw dislocation in a diamond-like structure, Phil. Mag. A, vol.80, issue.3, p.609, 2000. ,
Communication privée, 2003. ,
calculation of Peierls stress in silicon, Physical Review B, vol.63, issue.4, p.45206, 2001. ,
DOI : 10.1103/PhysRevB.63.045206
Undissociated screw dislocations in silicon: Calculations of core structure and energy, Philosophical Magazine, vol.41, issue.10, p.1191, 2003. ,
DOI : 10.1103/PhysRevB.43.1993
URL : https://hal.archives-ouvertes.fr/hal-00170990
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems, Physical Review B, vol.39, issue.8, p.5566, 1989. ,
DOI : 10.1103/PhysRevB.39.5566
Interatomic potential for silicon defects and disordered phases, Physical Review B, vol.58, issue.5, p.2539, 1998. ,
DOI : 10.1103/PhysRevB.58.2539
URL : http://arxiv.org/abs/cond-mat/9712058
Introduction to dislocations, 1965. ,
DOI : 10.1016/s1369-7021(11)70217-6
URL : http://doi.org/10.1016/s1369-7021(11)70217-6
On the mobility of dislocations in silicon by in situ straining in a high-voltage electron microscope, Philosophical Magazine A, vol.56, issue.5, p.1289, 1981. ,
DOI : 10.1080/01418618108236157
Atomistics and mechanical properties of silicon, Acta Materialia, vol.47, issue.15-16, p.4153, 1999. ,
DOI : 10.1016/S1359-6454(99)00274-8
Dislocation core studies in empirical silicon models, Physical Review B, vol.43, issue.6, p.5143, 1991. ,
DOI : 10.1103/PhysRevB.43.5143
The energetics of dislocation cores in semiconductors and their role on dislocation mobility, Physica B: Condensed Matter, vol.302, issue.303, pp.302-303398, 2001. ,
DOI : 10.1016/S0921-4526(01)00461-6
Experimental evidence for dislocation core structures in silicon, Scripta Materialia, vol.45, issue.11, p.1273, 2001. ,
DOI : 10.1016/S1359-6462(01)01161-7
Atomic modes of dislocation mobility in silicon, Philosophical Magazine A, vol.31, issue.2, p.453, 1995. ,
DOI : 10.1103/PhysRevB.46.10613
First principles simulations of the structure, formation, and migration energies of kinks on the 90 ? partial dislocation in silicon Bottomless complexity of core structure and kink mechanisms of dislocation motion in silicon, Phys. Rev. Lett. Scripta Materialia, vol.81, issue.45, p.49031247, 1998. ,
Parameter-free modelling of dislocation motion: The case of silicon, Philosophical Magazine A, vol.22, issue.5, p.811257, 2001. ,
DOI : 10.1103/PhysRevLett.54.1392
Nucleation of kink pairs on partial dislocations: A new model for solution hardening and softening, Philosophical Magazine, vol.4, issue.11, p.831329, 2003. ,
DOI : 10.2320/matertrans.42.484
Kinetic Monte Carlo approach to modeling dislocation mobility, Computational Materials Science, vol.23, issue.1-4, p.124, 2002. ,
DOI : 10.1016/S0927-0256(01)00223-3
The Dissociation of Dislocations in Silicon, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, vol.325, issue.1563 ,
DOI : 10.1098/rspa.1971.0184
Dislocation microstructures in Si plastically deformed at RT, Journal of Physics: Condensed Matter, vol.12, issue.49, p.1210059, 2000. ,
DOI : 10.1088/0953-8984/12/49/305
On a change in deformation mechanism in silicon at very high stress: new evidences, Scripta Materialia, vol.45, issue.11, p.1259, 2001. ,
DOI : 10.1016/S1359-6462(01)01159-9
Dislocation motion in silicon: The shuffle-glide controversy, Philosophical Magazine Letters, vol.74, issue.4, p.253, 1996. ,
DOI : 10.1080/095008396180191
In Symposium on plastic deformation of crystalline solids, p.89, 1950. ,
The relation between the structure and machanical properties of alloys ,
Energetics of homogeneous nucleation of dislocation loops under a simple shear stress in perfect crystals, Materials Science and Engineering: A, vol.319, issue.321, pp.319-321144, 2001. ,
DOI : 10.1016/S0921-5093(01)00952-2
Critical thickness during two-dimensional and three-dimensional epitaxial growth in semiconductor heterostructures, Materials Science and Engineering: B, vol.8, issue.2 ,
DOI : 10.1016/0921-5107(91)90024-P
Nucleation of a 60?? glide dislocation in two-dimensional or three-dimensional growth of epilayers, Journal of Electronic Materials, vol.6, issue.7, p.767, 1991. ,
DOI : 10.1007/BF02665963
/Si system, Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, vol.7, issue.4, p.2580, 1989. ,
DOI : 10.1116/1.575800
Nucleation of semicircular misfit dislocation loops from the epitaxial surface of strained???layer heterostructures, Journal of Applied Physics, vol.79, issue.10, 1996. ,
DOI : 10.1063/1.361527
Surface step-dislocation transition and dislocation nucleation at a solid free surface, Philosophical Magazine Letters, vol.75, issue.3, p.125, 1997. ,
DOI : 10.1080/095008397179660
Direct imaging of surface cusp evolution during strained-layer epitaxy and implications for strain relaxation, Physical Review Letters, vol.71, issue.11, pp.11-131744, 1993. ,
DOI : 10.1103/PhysRevLett.71.1744
Stress concentration at slightly undulating surfaces, Journal of the Mechanics and Physics of Solids, vol.39, issue.4, p.443, 1991. ,
DOI : 10.1016/0022-5096(91)90035-M
Some general properties of stress-driven surface evolution in a heteroepitaxial thin film structure, Journal of the Mechanics and Physics of Solids, vol.42, issue.5, p.741, 1994. ,
DOI : 10.1016/0022-5096(94)90041-8
Localized surface instability of a non-homogeneously stressed solid, Europhysics Letters (EPL), vol.38, issue.4, p.307, 1997. ,
DOI : 10.1209/epl/i1997-00243-1
Fracture of Solids, 1963. ,
The stress concentration at a step on the surface of a brittle crystalline solid, International Journal of Engineering Science, vol.6, issue.1, 1968. ,
DOI : 10.1016/0020-7225(68)90034-7
Stress concentration near a surface step and shear localization, Physical Review B, vol.61, issue.13, p.618707, 2000. ,
DOI : 10.1103/PhysRevB.61.8707
New empirical approach for the structure and energy of covalent systems, Physical Review B, vol.37, issue.12, p.6991, 1988. ,
DOI : 10.1103/PhysRevB.37.6991
Environment-dependent interatomic potential for bulk silicon Comparative study of silicon empirical interatomic potentials, Phys. Rev. B Phys. Rev. B, vol.56, issue.464, p.85422250, 1992. ,
Interatomic Potentials for Silicon Structural Energies, Physical Review Letters, vol.55, issue.19, 1985. ,
DOI : 10.1103/PhysRevLett.55.2001
New classical models for silicon structural energies, Physical Review B, vol.36, issue.12 ,
DOI : 10.1103/PhysRevB.36.6434
Diatomic Molecules and Metallic Adhesion, Cohesion, and Chemisorption: A Single Binding-Energy Relation, Physical Review Letters, vol.50, issue.18, pp.18-21385, 1983. ,
DOI : 10.1103/PhysRevLett.50.1385
Empirical interatomic potential for silicon with improved elastic properties, Physical Review B, vol.38, issue.14, p.9902, 1988. ,
DOI : 10.1103/PhysRevB.38.9902
Verification of Tersoff's Potential for Static Structural Analysis of Solids of Group-IV Elements, Japanese Journal of Applied Physics, vol.37, issue.Part 1, No. 2, p.414, 1998. ,
DOI : 10.1143/JJAP.37.414
N???herungsmethode zur L???sung des quantenmechanischen Mehrk???rperproblems, Zeitschrift f???r Physik, vol.61, issue.1-2, p.126, 1930. ,
DOI : 10.1007/BF01340294
Note on Hartree's Method, Physical Review, vol.35, issue.2, p.210, 1930. ,
DOI : 10.1103/PhysRev.35.210.2
Eine statistische Methode zur Bestimmung einiger Eigenschaften des Atoms und ihre Anwendung auf die Theorie des periodischen Systems der Elemente, Zeitschrift f???r Physik, vol.48, issue.1-2, p.73, 1928. ,
DOI : 10.1007/BF01351576
Note on Exchange Phenomena in the Thomas Atom, Mathematical Proceedings of the Cambridge Philosophical Society, vol.26, issue.03, p.376, 1930. ,
DOI : 10.1017/S0305004100016108
Inhomogeneous Electron Gas, Physical Review, vol.136, issue.3B, p.864, 1964. ,
DOI : 10.1103/PhysRev.136.B864
The density functional formalism, its applications and prospects, Reviews of Modern Physics, vol.61, issue.3, p.689, 1989. ,
DOI : 10.1103/RevModPhys.61.689
Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.140, issue.4A, p.1138, 1965. ,
DOI : 10.1103/PhysRev.140.A1133
Separable dual-space Gaussian pseudopotentials, Physical Review B, vol.54, issue.3, p.1703, 1996. ,
DOI : 10.1103/PhysRevB.54.1703
URL : http://arxiv.org/abs/mtrl-th/9512004
Self-interaction correction to density-functional approximations for many-electron systems, Phys. Rev. B, vol.23, issue.10, p.5048, 1981. ,
Ground State of the Electron Gas by a Stochastic Method, Physical Review Letters, vol.45, issue.7, p.566, 1980. ,
DOI : 10.1103/PhysRevLett.45.566
Efficient pseudopotentials for plane-wave calculations, Physical Review B, vol.43, issue.3, 1991. ,
DOI : 10.1103/PhysRevB.43.1993
Zum elektrischen Widerstandsgesetz bei tiefen Temperaturen, Zeitschrift f???r Physik, vol.59, issue.3-4, p.208, 1928. ,
DOI : 10.1007/BF01341426
total-energy calculations: molecular dynamics and conjugate gradients, Reviews of Modern Physics, vol.64, issue.4, p.1045, 1992. ,
DOI : 10.1103/RevModPhys.64.1045
Linear-Scaling ab-initio Calculations for Large and Complex Systems, physica status solidi (b), vol.215, issue.1, p.809, 1999. ,
DOI : 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0
Numerical atomic orbitals for linear-scaling calculations, Physical Review B, vol.64, issue.23, p.235111, 2001. ,
DOI : 10.1103/PhysRevB.64.235111
Ordejón, and D. Sánchez-Portal. The SIESTA method for ab initio order-n materials simulation ,
Communication privée, 2003. ,
Forces in Molecules, Physical Review, vol.56, issue.4, p.340, 1939. ,
DOI : 10.1103/PhysRev.56.340
Single crystal elastic constants and calculated aggregate properties : a handbook, 1971. ,
Special points for Brillouin-zone integrations, Physical Review B, vol.13, issue.12, p.5188, 1976. ,
DOI : 10.1103/PhysRevB.13.5188
Ab initio simulation on ideal shear strength of silicon, Materials Science and Engineering: B, vol.88, issue.1 ,
DOI : 10.1016/S0921-5107(01)00907-2
Elastic instabilities in crystals from ab initio stress-strain relations, Mater. Sci. Eng. B J. Phys. : Condens. Matter, vol.9, p.798579, 1997. ,
Plastic deformation of Si at low temperature under high confining pressure, Materials Science and Engineering: A, vol.309, issue.310, pp.309-31074, 2001. ,
DOI : 10.1016/S0921-5093(00)01770-6
An ab initio study of the cleavage anisotropy in silicon, Acta Materialia, vol.48, issue.18-19 ,
DOI : 10.1016/S1359-6454(00)00238-X
Molecular Dynamics Studies of Defects in Si, MRS Proceedings, vol.40, p.125, 1991. ,
DOI : 10.1557/PROC-209-125
Finite-temperature molecular-dynamics study of unstable stacking fault free energies in silicon, Physical Review B, vol.58, issue.19 ,
DOI : 10.1103/PhysRevB.58.12555
Computer study of microtwins forming from surface steps of silicon, Computational Materials Science, vol.30, issue.1-2, p.16, 2004. ,
DOI : 10.1016/j.commatsci.2004.01.004
Ledge interactions and stress relaxations on Si(001) stepped surfaces, Physical Review B, vol.45, issue.7, p.453521, 1992. ,
DOI : 10.1103/PhysRevB.45.3521
Some Predicted Effects of Temperature Gradients on Diffusion in Crystals, Physical Review, vol.91, issue.6, p.1563, 1953. ,
DOI : 10.1103/PhysRev.91.1563
methods for silicon under large shear, Journal of Physics: Condensed Matter, vol.15, issue.41, p.6943, 2003. ,
DOI : 10.1088/0953-8984/15/41/004
Theoretical study of dislocation nucleation from simple surface defects in semiconductors, Physical Review B, vol.70, issue.5, 2004. ,
DOI : 10.1103/PhysRevB.70.054109
URL : https://hal.archives-ouvertes.fr/hal-00170983
Surface step effects on Si (100) under uniaxial tensile stress, by atomistic calculations, Scripta Materialia, vol.47, issue.7, p.47481, 2002. ,
DOI : 10.1016/S1359-6462(02)00183-5
URL : https://hal.archives-ouvertes.fr/hal-00171015