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
133 title = {Cascade overlap and amorphization in $3C-SiC:$
134 Defect accumulation, topological features, and disordering},
135 author = {Gao, F. and Weber, W. J.},
136 journal = {Phys. Rev. B},
143 doi = {10.1103/PhysRevB.66.024106},
144 publisher = {American Physical Society},
145 note = {sic intro, si cascade in 3c-sic, amorphization, tersoff modified,
146 pair correlation of amorphous sic, md result analyze}
152 title = {Intrinsic point defects in crystalline silicon:
153 Tight-binding molecular dynamics studiesof self-diffusion,
154 interstitial-vacancy recombination, and formation volumes},
155 author = {M. Tang, L. Colombo, J. Zhu, T. Diaz de la Rubia},
156 journal = {Phys. Rev. B},
159 pages = {14279--14289},
163 doi = {10.1103/PhysRevB.55.14279},
164 publisher = {American Physical Society},
165 notes = {si self interstitial, diffusion, tbmd}
169 title = {Tight-binding theory of native point defects in silicon},
170 author = {L. Colombo},
171 journal = {Annu. Rev. Mater. Res.},
176 doi = {10.1146/annurev.matsci.32.111601.103036},
177 publisher = {Annual Reviews},
178 notes = {si self interstitial, tbmd, virial stress}
184 title = {Ab initio and empirical-potential studies of defect properties
186 author = {F. Gao, E. J. Bylaska, W. J. Weber, L. R. Corrales},
187 journal = {Phys. Rev. B},
194 doi = {10.1103/PhysRevB.64.245208},
195 publisher = {American Physical Society},
196 notes = {defects in 3c-sic}
202 title = {Calculations of Silicon Self-Interstitial Defects},
203 author = {Leung, W.-K. and Needs, R. J. and Rajagopal, G. and
204 Itoh, S. and Ihara, S. },
205 journal = {Phys. Rev. Lett.},
208 pages = {2351--2354},
212 doi = {10.1103/PhysRevLett.83.2351},
213 publisher = {American Physical Society},
214 notes = {nice images of the defects}
217 @Article{PhysRevB.50.7439,
218 title = {Identification of the migration path of interstitial carbon
220 author = {R. B. Capazd, A Dal Pino, J. D. Joannopoulos},
221 journal = {Phys. Rev. B},
224 pages = {7439--7442},
228 doi = {10.1103/PhysRevB.50.7439},
229 publisher = {American Physical Society},
230 notes = {carbon interstitial migration path shown, 001 c-si dumbbell}
233 % experimental stuff - interstitials
236 title = {EPR Observation of the Isolated Interstitial Carbon Atom in Silicon},
237 author = {G. D. Watkins and K. L. Brower},
238 journal = {Phys. Rev. Lett.},
241 pages = {1329--1332},
245 doi = {10.1103/PhysRevLett.36.1329},
246 publisher = {American Physical Society},
247 notes = {epr observations of 100 interstitial carbon atom in silicon}
251 title = {EPR identification of the single-acceptor state of interstitial carbon in silicon},
252 author = {L. W. Song, G. D. Watkins},
253 journal = {Phys. Rev. B},
256 pages = {5759--5764},
260 doi = {10.1103/PhysRevB.42.5759},
261 publisher = {American Physical Society}
264 % experimental stuff - strained silicon
267 title = {Carbon incorporation into Si at high concentrations
268 by ion implantation and solid phase epitaxy},
269 author = {J. W. Strane, S. R. Lee, H. J. Stein, S. T. Picraux,
270 J.K. Watanabe, J. W. Mayer},
271 journal = {J. Appl. Phys.},
276 doi = {10.1063/1.360806},
277 notes = {strained silicon, carbon supersaturation}
283 title = {Prospects for device implementation of wide band gap semiconductors},
284 author = {J. H. Edgar},
285 journal = {J. Mater. Res.},
290 doi = {10.1557/JMR.1992.0235},
291 notes = {properties wide band gap semiconductor, sic polytypes}
294 % my own publications
296 @article{zirkelbach2007,
297 title = {Monte Carlo simulation study of a selforganisation process
298 leading to ordered precipitate structures},
299 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
300 journal = {Nucl. Instr. and Meth. B},
307 doi = {doi:10.1016/j.nimb.2006.12.118},
308 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
311 @article{zirkelbach2006,
312 title = {Monte-Carlo simulation study of the self-organization of nanometric
313 amorphous precipitates in regular arrays during ion irradiation},
314 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
315 journal = {Nucl. Instr. and Meth. B},
322 doi = {doi:10.1016/j.nimb.2005.08.162},
323 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
326 @article{zirkelbach2005,
327 title = {Modelling of a selforganization process leading to periodic arrays
328 of nanometric amorphous precipitates by ion irradiation},
329 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
330 journal = {Comp. Mater. Sci.},
337 doi = {doi:10.1016/j.commatsci.2004.12.016},
338 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
344 title = {High-dose carbon implantations into silicon:
345 fundamental studies for new technological tricks},
346 author = {J. K. N. Lindner},
347 journal = {Appl. Phys. A},
351 doi = {10.1007/s00339-002-2062-8},
352 notes = {ibs, burried sic layers}