2 % bibliography database
5 % molecular dynamics: basics / potential
8 author = {Paul Erhart and Karsten Albe},
9 title = {Analytical potential for atomistic simulations of silicon, carbon,
13 journal = {Phys. Rev. B},
19 notes = {alble reparametrization, analytical bond oder potential (ABOP)},
20 keywords = {silicon; elemental semiconductors; carbon; silicon compounds;
21 wide band gap semiconductors; elasticity; enthalpy;
22 point defects; crystallographic shear; atomic forces},
23 url = {http://link.aps.org/abstract/PRB/v71/e035211},
24 doi = {10.1103/PhysRevB.71.035211}
28 title = {Modeling the metal-semiconductor interaction:
29 Analytical bond-order potential for platinum-carbon},
30 author = {Albe, Karsten and Nordlund, Kai and Averback, Robert S.},
31 journal = {Phys. Rev. B},
38 doi = {10.1103/PhysRevB.65.195124},
39 publisher = {American Physical Society},
40 notes = {derivation of albe bond order formalism},
44 title = {Stress relaxation in $a-Si$ induced by ion bombardment},
45 author = {M. Koster, H. M. Urbassek},
46 journal = {Phys. Rev. B},
49 pages = {11219--11224},
53 doi = {10.1103/PhysRevB.62.11219},
54 publisher = {American Physical Society},
55 notes = {virial derivation for 3-body tersoff potential}
59 title = {Direct simulation of ion-beam-induced stressing
60 and amorphization of silicon},
61 author = {K. M. Beardmore, N. Gr\o{}nbech-Jensen},
62 journal = {Phys. Rev. B},
65 pages = {12610--12616},
69 doi = {10.1103/PhysRevB.60.12610},
70 publisher = {American Physical Society},
71 notes = {virial derivation for 3-body tersoff potential}
75 title = {Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules},
76 author = {Verlet, Loup },
77 journal = {Phys. Rev.},
83 doi = {10.1103/PhysRev.159.98},
84 publisher = {American Physical Society},
85 notes = {velocity verlet integration algorithm equation of motion}
89 title = {Molecular dynamics with coupling to an external bath},
90 author = {H. J. C. Berendsen},
92 journal = {J. Chem. Phys.},
95 notes = {berendsen thermostat barostat}
98 % molecular dynamics: applications
101 title = {Molecular-dynamics study of self-interstitials in silicon},
102 author = {Inder P. Batra, Farid F. Abraham, S. Ciraci},
103 journal = {Phys. Rev. B},
106 pages = {9552--9558},
110 doi = {10.1103/PhysRevB.35.9552},
111 publisher = {American Physical Society},
112 notes = {selft-interstitials in silicon, stillinger-weber,
113 calculation of defect formation energy, defect interstitial types}
117 title = {Extended interstitials in silicon and germanium},
118 author = {H. R. Schober},
119 journal = {Phys. Rev. B},
122 pages = {13013--13015},
126 doi = {10.1103/PhysRevB.39.13013},
127 publisher = {American Physical Society},
128 notes = {stillinger-weber silicon 110 stable and metastable dumbbell
135 title = {Intrinsic point defects in crystalline silicon:
136 Tight-binding molecular dynamics studiesof self-diffusion,
137 interstitial-vacancy recombination, and formation volumes},
138 author = {M. Tang, L. Colombo, J. Zhu, T. Diaz de la Rubia},
139 journal = {Phys. Rev. B},
142 pages = {14279--14289},
146 doi = {10.1103/PhysRevB.55.14279},
147 publisher = {American Physical Society},
148 notes = {si self interstitial, diffusion, tbmd}
152 title = {Tight-binding theory of native point defects in silicon},
153 author = {L. Colombo},
154 journal = {Annu. Rev. Mater. Res.},
159 doi = {10.1146/annurev.matsci.32.111601.103036},
160 publisher = {Annual Reviews},
161 notes = {si self interstitial, tbmd, virial stress}
167 title = {Ab initio and empirical-potential studies of defect properties
169 author = {F. Gao, E. J. Bylaska, W. J. Weber, L. R. Corrales},
170 journal = {Phys. Rev. B},
177 doi = {10.1103/PhysRevB.64.245208},
178 publisher = {American Physical Society},
179 notes = {defects in 3c-sic}
185 title = {Calculations of Silicon Self-Interstitial Defects},
186 author = {Leung, W.-K. and Needs, R. J. and Rajagopal, G. and
187 Itoh, S. and Ihara, S. },
188 journal = {Phys. Rev. Lett.},
191 pages = {2351--2354},
195 doi = {10.1103/PhysRevLett.83.2351},
196 publisher = {American Physical Society},
197 notes = {nice images of the defects}
200 @Article{PhysRevB.50.7439,
201 title = {Identification of the migration path of interstitial carbon
203 author = {R. B. Capazd, A Dal Pino, J. D. Joannopoulos},
204 journal = {Phys. Rev. B},
207 pages = {7439--7442},
211 doi = {10.1103/PhysRevB.50.7439},
212 publisher = {American Physical Society},
213 notes = {carbon interstitial migration path shown, 001 c-si dumbbell}
219 title = {EPR Observation of the Isolated Interstitial Carbon Atom in Silicon},
220 author = {G. D. Watkins and K. L. Brower},
221 journal = {Phys. Rev. Lett.},
224 pages = {1329--1332},
228 doi = {10.1103/PhysRevLett.36.1329},
229 publisher = {American Physical Society},
230 notes = {epr observations of 100 interstitial carbon atom in silicon}
233 @Article{PhysRevB.42.5759,
234 title = {EPR identification of the single-acceptor state of interstitial carbon in silicon},
235 author = {L. W. Song, G. D. Watkins},
236 journal = {Phys. Rev. B},
239 pages = {5759--5764},
243 doi = {10.1103/PhysRevB.42.5759},
244 publisher = {American Physical Society}
247 % my own publications
249 @article{zirkelbach2007,
250 title = {Monte Carlo simulation study of a selforganisation process
251 leading to ordered precipitate structures},
252 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
253 journal = {Nucl. instr. and Meth. B},
260 doi = {doi:10.1016/j.nimb.2006.12.118},
261 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
264 @article{zirkelbach2006,
265 title = {Monte-Carlo simulation study of the self-organization of nanometric
266 amorphous precipitates in regular arrays during ion irradiation},
267 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
268 journal = {Nucl. instr. and Meth. B},
275 doi = {doi:10.1016/j.nimb.2005.08.162},
276 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
279 @article{zirkelbach2005,
280 title = {Modelling of a selforganization process leading to periodic arrays
281 of nanometric amorphous precipitates by ion irradiation},
282 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
283 journal = {Comp. Mater. Sci.},
290 doi = {doi:10.1016/j.commatsci.2004.12.016},
291 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}