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Philosophical Magazine A Volume 80, 2000 - Issue 3
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Original Articles

Core structure of a screw dislocation in a diamond-like structure

Hirokazu Koizumi Department of Physics, Meiji University, Higashi-mita, Kawasaki, 214-8571, Japan
,
Yasushi Kamimura Institute of Industrial Science, University of Tokyo, Roppongi, Minato-ku, Tokyo, 106-8558, Japan
&
Takayoshi Suzuki Institute of Industrial Science, University of Tokyo, Roppongi, Minato-ku, Tokyo, 106-8558, Japan
Pages 609-620 | Received 08 Feb 1999, Accepted 05 May 1999, Published online: 11 Aug 2009

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Lili Huang, Rui Wang & Shaofeng Wang. (2019) A new reconstruction core of the 30° partial dislocation in silicon. Philosophical Magazine 99:3, pages 347-375.
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L. Pizzagalli & P. Beauchamp. (2004) First principles determination of the Peierls stress of the shuffle screw dislocation in silicon. Philosophical Magazine Letters 84:11, pages 729-736.
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L. Pizzagalli, P. Beauchamp & J. Rabier. (2003) Undissociated screw dislocations in silicon: Calculations of core structure and energy. Philosophical Magazine 83:10, pages 1191-1204.
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Wei Cai, VasilyV. Bulatob, Jinpeng Chang, Ju Li & Sidney Yip. (2003) Periodic image effects in dislocation modelling. Philosophical Magazine 83:5, pages 539-567.
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K. Edagawa, H. Koizumi, Y. Kamimura & T. Suzuki. (2000) Temperature dependence of the flow stress of III–V compounds. Philosophical Magazine A 80:11, pages 2591-2608.
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Articles from other publishers (40)

Carolina Baruffi & Christian Brandl. (2023) Vacancy segregation and intrinsic coordination defects at (1 1 1) twist grain boundaries in diamond. Acta Materialia 260, pages 119253.
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Zhuocheng Xie, Dimitri Chauraud, Achraf Atila, Erik Bitzek, Sandra Korte-Kerzel & Julien Guénolé. (2023) Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases. Physical Review Materials 7:5.
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Jun Li, Kun Luo & Qi An. (2023) Atomic structure, stability, and dissociation of dislocations in cadmium telluride. International Journal of Plasticity 163, pages 103552.
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C. Baruffi & C. Brandl. (2021) On the structure of (111) twist grain boundaries in diamond: atomistic simulations with Tersoff-type interatomic potentials. Acta Materialia 215, pages 117055.
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Wu-Rong Jian, Shuozhi Xu & Irene J. Beyerlein. (2021) On the significance of model design in atomistic calculations of the Peierls stress in Nb. Computational Materials Science 188, pages 110150.
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Michal Kotoul, Petr Skalka, Tomáš Profant, Petr Řehák, Petr Šesták, Miroslav Černý & Jaroslav Pokluda. (2019) A novel multiscale approach to brittle fracture of nano/micro‐sized components. Fatigue & Fracture of Engineering Materials & Structures 43:8, pages 1630-1645.
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Michal Kotoul, Petr Skalka, Tomáš Profant, Martin Friák, Petr Řehák, Petr Šesták, Miroslav Černý & Jaroslav Pokluda. (2019) Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture. Mechanics of Materials 136, pages 103074.
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Lili Huang & Shaofeng Wang. (2019) Structure and energy of the 〈11¯〉 screw dislocation in silicon using generalized Peierls theory. Journal of Applied Physics 125:14.
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Ph. Carrez, J. Godet & P. Cordier. (2015) Atomistic simulations of ½〈1 1 0〉 screw dislocation core in magnesium oxide. Computational Materials Science 103, pages 250-255.
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Maria Ganchenkova & Risto M. Nieminen. 2015. Handbook of Silicon Based MEMS Materials and Technologies. Handbook of Silicon Based MEMS Materials and Technologies 253 293 .
Maria Ganchenkova & Risto M. Nieminen. 2015. Handbook of Silicon Based MEMS Materials and Technologies. Handbook of Silicon Based MEMS Materials and Technologies 263 303 .
L. Pizzagalli. (2014) Stability and mobility of screw dislocations in 4H, 2H and 3C silicon carbide. Acta Materialia 78, pages 236-244.
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Jihoon Han, Mingyu Park, Arim Lee, Dongwoo Sohn, Jaeshin Park & Seyoung Im. (2014) Temperature dependence of screw dislocation mobility on shuffle-set of silicon. Metals and Materials International 20:5, pages 899-907.
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M. Matsubara, J. Godet, L. Pizzagalli & E. Bellotti. (2013) Properties of threading screw dislocation core in wurtzite GaN studied by Heyd-Scuseria-Ernzerhof hybrid functional. Applied Physics Letters 103:26.
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Z. Li, N. Mathew & R.C. Picu. (2013) Dependence of Peierls stress on lattice strains in silicon. Computational Materials Science 77, pages 343-347.
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X. W. Zhou, D. K. Ward, J. E. Martin, F. B. van Swol, J. L. Cruz-Campa & D. Zubia. (2013) Stillinger-Weber potential for the II-VI elements Zn-Cd-Hg-S-Se-Te. Physical Review B 88:8.
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L Pizzagalli, J Godet, J Guénolé, S Brochard, E Holmstrom, K Nordlund & T Albaret. (2013) A new parametrization of the Stillinger–Weber potential for an improved description of defects and plasticity of silicon. Journal of Physics: Condensed Matter 25:5, pages 055801.
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H. L. Zhang & C. J. Yuan. (2012) Properties of Shockley partials in InP: core width, Peierls barrier and stress. The European Physical Journal B 85:3.
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Laurent Pizzagalli, Julien Godet, Julien Guénolé & Sandrine Brochard. (2011) Dislocation cores in silicon: new aspects from numerical simulations. Journal of Physics: Conference Series 281, pages 012002.
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J Guénolé, J Godet & L Pizzagalli. (2010) Determination of activation parameters for the core transformation of the screw dislocation in silicon. Modelling and Simulation in Materials Science and Engineering 18:6, pages 065001.
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Keonwook Kang & Wei Cai. (2010) Size and temperature effects on the fracture mechanisms of silicon nanowires: Molecular dynamics simulations. International Journal of Plasticity 26:9, pages 1387-1401.
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Shaofeng Wang, Huili Zhang, Xiaozhi Wu & Ruiping Liu. (2010) Theoretical calculation of the dislocation width and Peierls barrier and stress for semiconductor silicon. Journal of Physics: Condensed Matter 22:5, pages 055801.
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J. Rabier, L. Pizzagalli & J.L. Demenet. 2010. 47 108 .
Maria Ganchenkova & Risto M. Nieminen. 2010. Handbook of Silicon Based MEMS Materials and Technologies. Handbook of Silicon Based MEMS Materials and Technologies 179 219 .
Julien Godet, Pierre Hirel, Sandrine Brochard & Laurent Pizzagalli. (2009) Dislocation nucleation from surface step in silicon: The glide set versus the shuffle set. physica status solidi (a) 206:8, pages 1885-1891.
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L. Pizzagalli, J.-L. Demenet & J. Rabier. (2009) Theoretical study of pressure effect on the dislocation core properties in semiconductors. Physical Review B 79:4.
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Cai-Zhuang Wang, Gun-Do Lee, Ju Li, Sidney Yip & Kai-Ming Ho. (2008) Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials. Scientific Modeling and Simulation SMNS 15:1-3, pages 97-121.
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Cai-Zhuang Wang, Gun-Do Lee, Ju Li, Sidney Yip & Kai-Ming Ho. 2009. Scientific Modeling and Simulations. Scientific Modeling and Simulations 97 121 .
I. Belabbas, G. Nouet & Ph. Komninou. (2007) Atomic core configurations of the -screw basal dislocation in wurtzite GaN. Journal of Crystal Growth 300:1, pages 212-216.
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H. Koizumi & T. Suzuki. (2005) Motion of dislocation kinks in a simple model crystal. Materials Science and Engineering: A 400-401, pages 76-79.
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Ju Li. 2005. Handbook of Materials Modeling. Handbook of Materials Modeling 773 792 .
Wei Cai, Vasily V. Bulatov, Jinpeng Chang, Ju Li & Sidney Yip. 2004. 1 80 .
A. T. Blumenau, R. Jones, T. Frauenheim, B. Willems, O. I. Lebedev, G. Van Tendeloo, D. Fisher & P. M. Martineau. (2003) Dislocations in diamond: Dissociation into partials and their glide motion. Physical Review B 68:1.
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. 2003. Thermally Activated Mechanisms in Crystal Plasticity. Thermally Activated Mechanisms in Crystal Plasticity 227 277 .
Antoine Béré & Anna Serra. (2002) Structure of [0001] tilt boundaries in GaN obtained by simulation with empirical potentials. Physical Review B 66:8.
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A. T. Blumenau, M. I. Heggie, C. J. Fall, R. Jones & T. Frauenheim. (2002) Dislocations in diamond: Core structures and energies. Physical Review B 65:20.
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Amand George & Sidney Yip. (2001) Preface to the Viewpoint Set on:. Scripta Materialia 45:11, pages 1233-1238.
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P. Gumbsch, S. Taeri-Baghbadrani, D. Brunner, W. Sigle & M. Rühle. (2001) Plasticity and an Inverse Brittle-to-Ductile Transition in Strontium Titanate. Physical Review Letters 87:8.
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J. Rabier & J.L. Demenet. (2000) Low Temperature, High Stress Plastic Deformation of Semiconductors: The Silicon Case. physica status solidi (b) 222:1, pages 63-74.
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T Suzuki, T Tokuoka, I Yonenaga & H.O.K Kirchner. (2000) Inverse brittle-to-ductile transition in gallium-arsenide under hydrostatic pressure. Scripta Materialia 43:7, pages 645-650.
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