notes = {derivation of albe bond order formalism},
}
+@ARTICLE{mattoni2007,
+ author = {{Mattoni}, A. and {Ippolito}, M. and {Colombo}, L.},
+ title = "{Atomistic modeling of brittleness in covalent materials}",
+ journal = {Phys. Rev. B},
+ year = 2007,
+ month = dec,
+ volume = 76,
+ number = 22,
+ pages = {224103-+},
+ doi = {10.1103/PhysRevB.76.224103},
+ notes = {adopted tersoff potential for Si, C, Ge ad SiC;
+ longe(r)-range-interactions, brittle propagation of fracture,
+ more available potentials, universal energy relation (uer),
+ minimum range model (mrm)}
+}
+
@Article{koster2002,
title = {Stress relaxation in $a-Si$ induced by ion bombardment},
author = {M. Koster, H. M. Urbassek},
notes = {velocity verlet integration algorithm equation of motion}
}
-@article{berendsen:3684,
+@article{berendsen84,
author = {H. J. C. Berendsen and J. P. M. Postma and W. F. van Gunsteren
and A. DiNola and J. R. Haak},
collaboration = {},
notes = {berendsen thermostat barostat}
}
+@article{huang95,
+ author={Hanchen Huang and N M Ghoniem and J K Wong and M Baskes},
+ title={Molecular dynamics determination of defect energetics in beta -SiC
+ using three representative empirical potentials},
+ journal={Modelling and Simulation in Materials Science and Engineering},
+ volume={3},
+ number={5},
+ pages={615-627},
+ url={http://stacks.iop.org/0965-0393/3/615},
+ notes = {comparison of tersoff, pearson and eam for defect energetics in sic;
+ (m)eam parameters for sic},
+ year={1995}
+}
+
+@Article{tersoff89,
+ title = {Relationship between the embedded-atom method and
+ Tersoff potentials},
+ author = {Brenner, Donald W.},
+ journal = {Phys. Rev. Lett.},
+ volume = {63},
+ number = {9},
+ pages = {1022},
+ numpages = {1},
+ year = {1989},
+ month = {Aug},
+ doi = {10.1103/PhysRevLett.63.1022},
+ publisher = {American Physical Society},
+ notes = {relation of tersoff and eam potential}
+}
+
% molecular dynamics: applications
@Article{batra87,
pair correlation of amorphous sic, md result analyze}
}
+@Article{devanathan98,
+ title = "Computer simulation of a 10 keV Si displacement cascade in SiC",
+ journal = "Nuclear Instruments and Methods in Physics Research Section B:
+ Beam Interactions with Materials and Atoms",
+ volume = "141",
+ number = "1-4",
+ pages = "118 - 122",
+ year = "1998",
+ note = "",
+ issn = "0168-583X",
+ doi = "DOI: 10.1016/S0168-583X(98)00084-6",
+ author = "R. Devanathan and W. J. Weber and T. Diaz de la Rubia",
+ notes = {modified tersoff short range potential, ab initio 3c-sic}
+}
+
+@Article{devanathan98_2,
+ title = "Displacement threshold energies in [beta]-SiC",
+ journal = "Journal of Nuclear Materials",
+ volume = "253",
+ number = "1-3",
+ pages = "47 - 52",
+ year = "1998",
+ issn = "0022-3115",
+ doi = "DOI: 10.1016/S0022-3115(97)00304-8",
+ author = "R. Devanathan and T. Diaz de la Rubia and W. J. Weber",
+ notes = "modified tersoff, ab initio, combined ab initio tersoff"
+}
+
@Article{batra87,
title = {SiC/Si heteroepitaxial growth},
author = {M. Kitabatake},
@Article{tang97,
title = {Intrinsic point defects in crystalline silicon:
- Tight-binding molecular dynamics studiesof self-diffusion,
+ Tight-binding molecular dynamics studies of self-diffusion,
interstitial-vacancy recombination, and formation volumes},
author = {M. Tang, L. Colombo, J. Zhu, T. Diaz de la Rubia},
journal = {Phys. Rev. B},
notes = {defects in 3c-sic}
}
+@Article{mattoni2002,
+ title = {Self-interstitial trapping by carbon complexes in crystalline silicon},
+ author = {Mattoni, A. and Bernardini, F. and Colombo, L. },
+ journal = {Phys. Rev. B},
+ volume = {66},
+ number = {19},
+ pages = {195214},
+ numpages = {6},
+ year = {2002},
+ month = {Nov},
+ doi = {10.1103/PhysRevB.66.195214},
+ publisher = {American Physical Society},
+ notes = {c in c-si, diffusion, interstitial configuration + links}
+}
+
% ab initio
@Article{leung99,
notes = {nice images of the defects}
}
-@Article{PhysRevB.50.7439,
+@Article{capazd94,
title = {Identification of the migration path of interstitial carbon
in silicon},
author = {R. B. Capazd, A Dal Pino, J. D. Joannopoulos},
notes = {carbon interstitial migration path shown, 001 c-si dumbbell}
}
+@Article{car84,
+ title = {Microscopic Theory of Atomic Diffusion Mechanisms in Silicon},
+ author = {Car, Roberto and Kelly, Paul J. and Oshiyama, Atsushi
+ and Pantelides, Sokrates T.},
+ journal = {Phys. Rev. Lett.},
+ volume = {52},
+ number = {20},
+ pages = {1814--1817},
+ numpages = {3},
+ year = {1984},
+ month = {May},
+ doi = {10.1103/PhysRevLett.52.1814},
+ publisher = {American Physical Society},
+ notes = {microscopic theory diffusion silicon dft migration path formation}
+}
+
+% monte carlo md
+
+@Article{kelires97,
+ title = {Short-range order, bulk moduli,
+ and physical trends in c-$Si1-x$$Cx$ alloys },
+ author = {Kelires, P. C. },
+ journal = {Phys. Rev. B},
+ volume = {55},
+ number = {14},
+ pages = {8784--8787},
+ numpages = {3},
+ year = {1997},
+ month = {Apr},
+ doi = {10.1103/PhysRevB.55.8784},
+ publisher = {American Physical Society},
+ notes = {c strained si, montecarlo md, bulk moduli, next neighbour dist}
+}
+
+@Article{kelires95,
+ title = {Monte Carlo Studies of Ternary Semiconductor Alloys:
+ Application to the $Si1-x-yGexCy$ System},
+ author = {Kelires, P. C.},
+ journal = {Phys. Rev. Lett.},
+ volume = {75},
+ number = {6},
+ pages = {1114--1117},
+ numpages = {3},
+ year = {1995},
+ month = {Aug},
+ doi = {10.1103/PhysRevLett.75.1114},
+ publisher = {American Physical Society},
+ notes = {mc md, strain compensation in si ge by c insertion}
+}
+
% experimental stuff - interstitials
@Article{watkins76,
projects / lectures / latex.git / commitdiff