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 author = {{Mattoni}, A. and {Ippolito}, M. and {Colombo}, L.},
45 title = "{Atomistic modeling of brittleness in covalent materials}",
46 journal = {Phys. Rev. B},
52 doi = {10.1103/PhysRevB.76.224103},
53 notes = {adopted tersoff potential for Si, C, Ge ad SiC;
54 longe(r)-range-interactions, brittle propagation of fracture,
55 more available potentials, universal energy relation (uer),
56 minimum range model (mrm)}
60 title = {Stress relaxation in $a-Si$ induced by ion bombardment},
61 author = {M. Koster, H. M. Urbassek},
62 journal = {Phys. Rev. B},
65 pages = {11219--11224},
69 doi = {10.1103/PhysRevB.62.11219},
70 publisher = {American Physical Society},
71 notes = {virial derivation for 3-body tersoff potential}
75 title = {Direct simulation of ion-beam-induced stressing
76 and amorphization of silicon},
77 author = {K. M. Beardmore, N. Gr\o{}nbech-Jensen},
78 journal = {Phys. Rev. B},
81 pages = {12610--12616},
85 doi = {10.1103/PhysRevB.60.12610},
86 publisher = {American Physical Society},
87 notes = {virial derivation for 3-body tersoff potential}
91 title = {Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules},
92 author = {Verlet, Loup },
93 journal = {Phys. Rev.},
99 doi = {10.1103/PhysRev.159.98},
100 publisher = {American Physical Society},
101 notes = {velocity verlet integration algorithm equation of motion}
104 @article{berendsen84,
105 author = {H. J. C. Berendsen and J. P. M. Postma and W. F. van Gunsteren
106 and A. DiNola and J. R. Haak},
108 title = {Molecular dynamics with coupling to an external bath},
111 journal = {The Journal of Chemical Physics},
115 keywords = {MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
116 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS},
117 url = {http://link.aip.org/link/?JCP/81/3684/1},
118 doi = {10.1063/1.448118},
119 notes = {berendsen thermostat barostat}
123 author={Hanchen Huang and N M Ghoniem and J K Wong and M Baskes},
124 title={Molecular dynamics determination of defect energetics in beta -SiC
125 using three representative empirical potentials},
126 journal={Modelling and Simulation in Materials Science and Engineering},
130 url={http://stacks.iop.org/0965-0393/3/615},
131 notes = {comparison of tersoff, pearson and eam for defect energetics in sic;
132 (m)eam parameters for sic},
137 title = {Relationship between the embedded-atom method and
139 author = {Brenner, Donald W.},
140 journal = {Phys. Rev. Lett.},
147 doi = {10.1103/PhysRevLett.63.1022},
148 publisher = {American Physical Society},
149 notes = {relation of tersoff and eam potential}
152 % molecular dynamics: applications
155 title = {Molecular-dynamics study of self-interstitials in silicon},
156 author = {Inder P. Batra, Farid F. Abraham, S. Ciraci},
157 journal = {Phys. Rev. B},
160 pages = {9552--9558},
164 doi = {10.1103/PhysRevB.35.9552},
165 publisher = {American Physical Society},
166 notes = {selft-interstitials in silicon, stillinger-weber,
167 calculation of defect formation energy, defect interstitial types}
171 title = {Extended interstitials in silicon and germanium},
172 author = {H. R. Schober},
173 journal = {Phys. Rev. B},
176 pages = {13013--13015},
180 doi = {10.1103/PhysRevB.39.13013},
181 publisher = {American Physical Society},
182 notes = {stillinger-weber silicon 110 stable and metastable dumbbell
187 title = {Cascade overlap and amorphization in $3C-SiC:$
188 Defect accumulation, topological features, and disordering},
189 author = {Gao, F. and Weber, W. J.},
190 journal = {Phys. Rev. B},
197 doi = {10.1103/PhysRevB.66.024106},
198 publisher = {American Physical Society},
199 note = {sic intro, si cascade in 3c-sic, amorphization, tersoff modified,
200 pair correlation of amorphous sic, md result analyze}
203 @Article{devanathan98,
204 title = "Computer simulation of a 10 keV Si displacement cascade in SiC",
205 journal = "Nuclear Instruments and Methods in Physics Research Section B:
206 Beam Interactions with Materials and Atoms",
213 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
214 author = "R. Devanathan and W. J. Weber and T. Diaz de la Rubia",
215 notes = {modified tersoff short range potential, ab initio 3c-sic}
218 @Article{devanathan98_2,
219 title = "Displacement threshold energies in [beta]-SiC",
220 journal = "Journal of Nuclear Materials",
226 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
227 author = "R. Devanathan and T. Diaz de la Rubia and W. J. Weber",
228 notes = "modified tersoff, ab initio, combined ab initio tersoff"
232 title = {SiC/Si heteroepitaxial growth},
233 author = {M. Kitabatake},
234 journal = {Thin Solid Films},
239 notes = {md simulation, sic si heteroepitaxy, mbe}
245 title = {Intrinsic point defects in crystalline silicon:
246 Tight-binding molecular dynamics studies of self-diffusion,
247 interstitial-vacancy recombination, and formation volumes},
248 author = {M. Tang, L. Colombo, J. Zhu, T. Diaz de la Rubia},
249 journal = {Phys. Rev. B},
252 pages = {14279--14289},
256 doi = {10.1103/PhysRevB.55.14279},
257 publisher = {American Physical Society},
258 notes = {si self interstitial, diffusion, tbmd}
262 title = {Tight-binding theory of native point defects in silicon},
263 author = {L. Colombo},
264 journal = {Annu. Rev. Mater. Res.},
269 doi = {10.1146/annurev.matsci.32.111601.103036},
270 publisher = {Annual Reviews},
271 notes = {si self interstitial, tbmd, virial stress}
277 title = {Ab initio and empirical-potential studies of defect properties
279 author = {F. Gao, E. J. Bylaska, W. J. Weber, L. R. Corrales},
280 journal = {Phys. Rev. B},
287 doi = {10.1103/PhysRevB.64.245208},
288 publisher = {American Physical Society},
289 notes = {defects in 3c-sic}
292 @Article{mattoni2002,
293 title = {Self-interstitial trapping by carbon complexes in crystalline silicon},
294 author = {Mattoni, A. and Bernardini, F. and Colombo, L. },
295 journal = {Phys. Rev. B},
302 doi = {10.1103/PhysRevB.66.195214},
303 publisher = {American Physical Society},
304 notes = {c in c-si, diffusion, interstitial configuration + links}
310 title = {Calculations of Silicon Self-Interstitial Defects},
311 author = {Leung, W.-K. and Needs, R. J. and Rajagopal, G. and
312 Itoh, S. and Ihara, S. },
313 journal = {Phys. Rev. Lett.},
316 pages = {2351--2354},
320 doi = {10.1103/PhysRevLett.83.2351},
321 publisher = {American Physical Society},
322 notes = {nice images of the defects}
326 title = {Identification of the migration path of interstitial carbon
328 author = {R. B. Capazd, A Dal Pino, J. D. Joannopoulos},
329 journal = {Phys. Rev. B},
332 pages = {7439--7442},
336 doi = {10.1103/PhysRevB.50.7439},
337 publisher = {American Physical Society},
338 notes = {carbon interstitial migration path shown, 001 c-si dumbbell}
342 title = {Microscopic Theory of Atomic Diffusion Mechanisms in Silicon},
343 author = {Car, Roberto and Kelly, Paul J. and Oshiyama, Atsushi
344 and Pantelides, Sokrates T.},
345 journal = {Phys. Rev. Lett.},
348 pages = {1814--1817},
352 doi = {10.1103/PhysRevLett.52.1814},
353 publisher = {American Physical Society},
354 notes = {microscopic theory diffusion silicon dft migration path formation}
360 title = {Short-range order, bulk moduli,
361 and physical trends in c-$Si1-x$$Cx$ alloys },
362 author = {Kelires, P. C. },
363 journal = {Phys. Rev. B},
366 pages = {8784--8787},
370 doi = {10.1103/PhysRevB.55.8784},
371 publisher = {American Physical Society},
372 notes = {c strained si, montecarlo md, bulk moduli, next neighbour dist}
376 title = {Monte Carlo Studies of Ternary Semiconductor Alloys:
377 Application to the $Si1-x-yGexCy$ System},
378 author = {Kelires, P. C.},
379 journal = {Phys. Rev. Lett.},
382 pages = {1114--1117},
386 doi = {10.1103/PhysRevLett.75.1114},
387 publisher = {American Physical Society},
388 notes = {mc md, strain compensation in si ge by c insertion}
391 % experimental stuff - interstitials
394 title = {EPR Observation of the Isolated Interstitial Carbon Atom in Silicon},
395 author = {G. D. Watkins and K. L. Brower},
396 journal = {Phys. Rev. Lett.},
399 pages = {1329--1332},
403 doi = {10.1103/PhysRevLett.36.1329},
404 publisher = {American Physical Society},
405 notes = {epr observations of 100 interstitial carbon atom in silicon}
409 title = {EPR identification of the single-acceptor state of interstitial carbon in silicon},
410 author = {L. W. Song, G. D. Watkins},
411 journal = {Phys. Rev. B},
414 pages = {5759--5764},
418 doi = {10.1103/PhysRevB.42.5759},
419 publisher = {American Physical Society}
422 % experimental stuff - strained silicon
425 title = {Carbon incorporation into Si at high concentrations
426 by ion implantation and solid phase epitaxy},
427 author = {J. W. Strane and S. R. Lee and H. J. Stein and S. T. Picraux and
428 J. K. Watanabe and J. W. Mayer},
429 journal = {J. Appl. Phys.},
434 doi = {10.1063/1.360806},
435 notes = {strained silicon, carbon supersaturation}
438 @article{laveant2002,
439 title = {Epitaxy of carbon-rich silicon with MBE},
440 author = {P. Laveant, G. Gerth, P. Werner, U. Gosele},
441 journal = {Materials Science and Engineering B},
445 keywords = {Growth; Epitaxy; MBE; Carbon; Silicon},
446 notes = {low c in si, tensile stress to compensate compressive stress,
447 avoid sic precipitation}}
450 % sic formation mechanism
453 author = {P. Werner and S. Eichler and G. Mariani and R. K\"{o}gler and W. Skorupa},
454 title = {Investigation of C[sub x]Si defects in C implanted silicon by transmission electron microscopy},
457 journal = {Applied Physics Letters},
461 keywords = {silicon; ion implantation; carbon; crystal defects;
462 transmission electron microscopy; annealing;
463 positron annihilation; secondary ion mass spectroscopy;
464 buried layers; precipitation},
465 url = {http://link.aip.org/link/?APL/70/252/1},
466 doi = {10.1063/1.118381},
467 notes = {si-c complexes, agglomerate, sic in si matrix, sic precipitate}
471 author = {J. W. Strane and H. J. Stein and S. R. Lee and S. T. Picraux and
472 J. K. Watanabe and J. W. Mayer},
474 title = {Precipitation and relaxation in strained
475 Si[sub 1 - y]C[sub y]/Si heterostructures},
478 journal = {Journal of Applied Physics},
482 keywords = {SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS},
483 url = {http://link.aip.org/link/?JAP/76/3656/1},
484 doi = {10.1063/1.357429},
485 notes = {strained si-c to 3c-sic, carbon nucleation + refs}
491 title = {Prospects for device implementation of wide band gap semiconductors},
492 author = {J. H. Edgar},
493 journal = {J. Mater. Res.},
498 doi = {10.1557/JMR.1992.0235},
499 notes = {properties wide band gap semiconductor, sic polytypes}
502 % my own publications
504 @article{zirkelbach2007,
505 title = {Monte Carlo simulation study of a selforganisation process
506 leading to ordered precipitate structures},
507 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
508 journal = {Nucl. Instr. and Meth. B},
515 doi = {doi:10.1016/j.nimb.2006.12.118},
516 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
519 @article{zirkelbach2006,
520 title = {Monte-Carlo simulation study of the self-organization of nanometric
521 amorphous precipitates in regular arrays during ion irradiation},
522 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
523 journal = {Nucl. Instr. and Meth. B},
530 doi = {doi:10.1016/j.nimb.2005.08.162},
531 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
534 @article{zirkelbach2005,
535 title = {Modelling of a selforganization process leading to periodic arrays
536 of nanometric amorphous precipitates by ion irradiation},
537 author = {F. Zirkelbach, M. H"aberlen, J.K.N. Lindner, B. Stritzker},
538 journal = {Comp. Mater. Sci.},
545 doi = {doi:10.1016/j.commatsci.2004.12.016},
546 publisher = {ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}
552 title = {High-dose carbon implantations into silicon:
553 fundamental studies for new technological tricks},
554 author = {J. K. N. Lindner},
555 journal = {Appl. Phys. A},
559 doi = {10.1007/s00339-002-2062-8},
560 notes = {ibs, burried sic layers}