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Lett.", volume = "55", number = "22", pages = "2471--2474", numpages = "3", year = "1985", month = nov, doi = "10.1103/PhysRevLett.55.2471", publisher = "American Physical Society", notes = "car parrinello method, dft and md", } @Article{kelires97, title = "Short-range order, bulk moduli, and physical trends in c-$Si1-x$$Cx$ alloys", author = "P. C. Kelires", 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 = "P. C. Kelires", 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", } @Article{bean70, title = "Low temperature electron irradiation of silicon containing carbon", journal = "Solid State Commun.", volume = "8", number = "3", pages = "175--177", year = "1970", note = "", ISSN = "0038-1098", doi = "DOI: 10.1016/0038-1098(70)90074-8", URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081", author = "A. R. Bean and R. C. Newman", } @Article{durand99, author = "F. Durand and J. Duby", affiliation = "EPM-Madylam, CNRS and INP Grenoble, France", title = "Carbon solubility in solid and liquid silicon—{A} review with reference to eutectic equilibrium", journal = "Journal of Phase Equilibria", publisher = "Springer New York", ISSN = "1054-9714", keyword = "Chemistry and Materials Science", pages = "61--63", volume = "20", issue = "1", URL = "http://dx.doi.org/10.1361/105497199770335956", note = "10.1361/105497199770335956", year = "1999", notes = "better c solubility limit in silicon", } @Article{watkins76, title = "{EPR} Observation of the Isolated Interstitial Carbon Atom in Silicon", author = "G. D. Watkins and K. L. Brower", journal = "Phys. Rev. Lett.", volume = "36", number = "22", pages = "1329--1332", numpages = "3", year = "1976", month = may, doi = "10.1103/PhysRevLett.36.1329", publisher = "American Physical Society", notes = "epr observations of 100 interstitial carbon atom in silicon", } @Article{song90, title = "{EPR} identification of the single-acceptor state of interstitial carbon in silicon", author = "L. W. Song and G. D. Watkins", journal = "Phys. Rev. B", volume = "42", number = "9", pages = "5759--5764", numpages = "5", year = "1990", month = sep, doi = "10.1103/PhysRevB.42.5759", publisher = "American Physical Society", notes = "carbon diffusion in silicon", } @Article{tipping87, author = "A K Tipping and R C Newman", title = "The diffusion coefficient of interstitial carbon in silicon", journal = "Semicond. Sci. Technol.", volume = "2", number = "5", pages = "315--317", URL = "http://stacks.iop.org/0268-1242/2/315", year = "1987", notes = "diffusion coefficient of carbon interstitials in silicon", } @Article{isomae93, author = "Seiichi Isomae and Tsutomu Ishiba and Toshio Ando and Masao Tamura", collaboration = "", title = "Annealing behavior of Me{V} implanted carbon in silicon", publisher = "AIP", year = "1993", journal = "J. Appl. Phys.", volume = "74", number = "6", pages = "3815--3820", keywords = "SILICON; ION IMPLANTATION; WAFERS; CARBON IONS; MEV RANGE 0110; TEM; SIMS; INFRARED SPECTRA; STRAINS; DEPTH PROFILES", URL = "http://link.aip.org/link/?JAP/74/3815/1", doi = "10.1063/1.354474", notes = "c at interstitial location for rt implantation in si", } @Article{strane96, title = "Carbon incorporation into Si at high concentrations by ion implantation and solid phase epitaxy", author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T. Picraux and J. K. Watanabe and J. W. Mayer", journal = "J. Appl. Phys.", volume = "79", pages = "637", year = "1996", month = jan, doi = "10.1063/1.360806", notes = "strained silicon, carbon supersaturation", } @Article{laveant2002, title = "Epitaxy of carbon-rich silicon with {MBE}", journal = "Mater. Sci. Eng., B", volume = "89", number = "1-3", pages = "241--245", year = "2002", ISSN = "0921-5107", doi = "DOI: 10.1016/S0921-5107(01)00794-2", URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268", author = "P. Lav\'eant and G. Gerth and P. Werner and U. G{\"{o}}sele", notes = "low c in si, tensile stress to compensate compressive stress, avoid sic precipitation", } @Article{foell77, title = "The formation of swirl defects in silicon by agglomeration of self-interstitials", journal = "J. Cryst. Growth", volume = "40", number = "1", pages = "90--108", year = "1977", note = "", ISSN = "0022-0248", doi = "DOI: 10.1016/0022-0248(77)90034-3", URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BWB4Y-44/2/bddfd69e99369473feebcdc41692dddb", author = "H. Föll and U. Gösele and B. O. Kolbesen", notes = "b-swirl: si + c interstitial agglomerates, c-si agglomerate", } @Article{foell81, title = "Microdefects in silicon and their relation to point defects", journal = "J. Cryst. Growth", volume = "52", number = "Part 2", pages = "907--916", year = "1981", note = "", ISSN = "0022-0248", doi = "DOI: 10.1016/0022-0248(81)90397-3", URL = "http://www.sciencedirect.com/science/article/B6TJ6-46MD42X-90/2/a482c31bf9e2faeed71b7109be601078", author = "H. Föll and U. Gösele and B. O. Kolbesen", notes = "swirl review", } @Article{werner97, author = "P. Werner and S. Eichler and G. Mariani and R. K{\"{o}}gler and W. Skorupa", title = "Investigation of {C}[sub x]Si defects in {C} implanted silicon by transmission electron microscopy", publisher = "AIP", year = "1997", journal = "Appl. Phys. Lett.", volume = "70", number = "2", pages = "252--254", keywords = "silicon; ion implantation; carbon; crystal defects; transmission electron microscopy; annealing; positron annihilation; secondary ion mass spectroscopy; buried layers; precipitation", URL = "http://link.aip.org/link/?APL/70/252/1", doi = "10.1063/1.118381", notes = "si-c complexes, agglomerate, sic in si matrix, sic precipitate", } @InProceedings{werner96, author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D. Eichler", booktitle = "Proceedings of the 11th International Conference on Ion Implantation Technology.", title = "{TEM} investigation of {C}-Si defects in carbon implanted silicon", year = "1996", month = jun, volume = "", number = "", pages = "675--678", doi = "10.1109/IIT.1996.586497", ISSN = "", notes = "c-si agglomerates dumbbells", } @Article{werner98, author = "P. Werner and U. G{\"{o}}sele and H.-J. Gossmann and D. C. Jacobson", collaboration = "", title = "Carbon diffusion in silicon", publisher = "AIP", year = "1998", journal = "Appl. Phys. Lett.", volume = "73", number = "17", pages = "2465--2467", keywords = "silicon; carbon; elemental semiconductors; diffusion; secondary ion mass spectra; semiconductor epitaxial layers; annealing; impurity-defect interactions; impurity distribution", URL = "http://link.aip.org/link/?APL/73/2465/1", doi = "10.1063/1.122483", notes = "c diffusion in si, kick out mechnism", } @Article{kalejs84, author = "J. P. Kalejs and L. A. Ladd and U. G{\"{o}}sele", collaboration = "", title = "Self-interstitial enhanced carbon diffusion in silicon", publisher = "AIP", year = "1984", journal = "Appl. Phys. Lett.", volume = "45", number = "3", pages = "268--269", keywords = "PHOSPHORUS; INTERSTITIALS; SILICON; PHOSPHORUS; CARBON; DIFFUSION; ANNEALING; ATOM TRANSPORT; VERY HIGH TEMPERATURE; IMPURITIES", URL = "http://link.aip.org/link/?APL/45/268/1", doi = "10.1063/1.95167", notes = "c diffusion due to si self-interstitials", } @Article{fukami90, author = "Akira Fukami and Ken-ichi Shoji and Takahiro Nagano and Cary Y. Yang", collaboration = "", title = "Characterization of SiGe/Si heterostructures formed by Ge[sup + ] and {C}[sup + ] implantation", publisher = "AIP", year = "1990", journal = "Appl. Phys. Lett.", volume = "57", number = "22", pages = "2345--2347", keywords = "HETEROJUNCTIONS; ION IMPLANTATION; HETEROSTRUCTURES; FABRICATION; PN JUNCTIONS; LEAKAGE CURRENT; GERMANIUM SILICIDES; SILICON; ELECTRICAL PROPERTIES; SOLIDPHASE EPITAXY; CARBON IONS; GERMANIUM IONS", URL = "http://link.aip.org/link/?APL/57/2345/1", doi = "10.1063/1.103888", } @Article{strane93, author = "J. W. Strane and H. J. Stein and S. R. Lee and B. L. Doyle and S. T. Picraux and J. W. Mayer", collaboration = "", title = "Metastable SiGe{C} formation by solid phase epitaxy", publisher = "AIP", year = "1993", journal = "Appl. Phys. Lett.", volume = "63", number = "20", pages = "2786--2788", keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; TERNARY ALLOY SYSTEMS; EPITAXY; ION IMPLANTATION; METASTABLE STATES; ANNEALING; TRANSMISSION ELECTRON MICROSCOPY; RUTHERFORD SCATTERING; XRAY DIFFRACTION; STRAINS; SOLIDPHASE EPITAXY; AMORPHIZATION", URL = "http://link.aip.org/link/?APL/63/2786/1", doi = "10.1063/1.110334", } @Article{goorsky92, author = "M. S. Goorsky and S. S. Iyer and K. Eberl and F. Legoues and J. Angilello and F. Cardone", collaboration = "", title = "Thermal stability of Si[sub 1 - x]{C}[sub x]/Si strained layer superlattices", publisher = "AIP", year = "1992", journal = "Appl. Phys. Lett.", volume = "60", number = "22", pages = "2758--2760", keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS; MOLECULAR BEAM EPITAXY; SUPERLATTICES; ANNEALING; CHEMICAL COMPOSITION; INTERNAL STRAINS; STRESS RELAXATION; THERMAL INSTABILITIES; INTERFACE STRUCTURE; DIFFUSION; PRECIPITATION; TEMPERATURE EFFECTS", URL = "http://link.aip.org/link/?APL/60/2758/1", doi = "10.1063/1.106868", } @Article{strane94, author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T. Picraux and J. K. Watanabe and J. W. Mayer", collaboration = "", title = "Precipitation and relaxation in strained Si[sub 1 - y]{C}[sub y]/Si heterostructures", publisher = "AIP", year = "1994", journal = "J. Appl. Phys.", volume = "76", number = "6", pages = "3656--3668", keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS", URL = "http://link.aip.org/link/?JAP/76/3656/1", doi = "10.1063/1.357429", notes = "strained si-c to 3c-sic, carbon nucleation + refs, precipitation by substitutional carbon, coherent prec, coherent to incoherent transition strain vs interface energy", } @Article{fischer95, author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J. Osten", collaboration = "", title = "Investigation of the high temperature behavior of strained Si[sub 1 - y]{C}[sub y] /Si heterostructures", publisher = "AIP", year = "1995", journal = "J. Appl. Phys.", volume = "77", number = "5", pages = "1934--1937", keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS; XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION; TEMPERATURE RANGE 04001000 K", URL = "http://link.aip.org/link/?JAP/77/1934/1", doi = "10.1063/1.358826", } @Article{edgar92, title = "Prospects for device implementation of wide band gap semiconductors", author = "J. H. Edgar", journal = "J. Mater. Res.", volume = "7", pages = "235", year = "1992", month = jan, doi = "10.1557/JMR.1992.0235", notes = "properties wide band gap semiconductor, sic polytypes", } @Article{zirkelbach2007, title = "Monte Carlo simulation study of a selforganisation process leading to ordered precipitate structures", author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner and B. Stritzker", journal = "Nucl. Instr. and Meth. B", volume = "257", number = "1--2", pages = "75--79", numpages = "5", year = "2007", month = apr, doi = "doi:10.1016/j.nimb.2006.12.118", publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS", abstract = "Periodically arranged, selforganised, nanometric, amorphous precipitates have been observed after high-fluence ion implantations into solids for a number of ion/target combinations at certain implantation conditions. A model describing the ordering process based on compressive stress exerted by the amorphous inclusions as a result of the density change upon amorphisation is introduced. A Monte Carlo simulation code, which focuses on high-fluence carbon implantations into silicon, is able to reproduce experimentally observed nanolamella distributions as well as the formation of continuous amorphous layers. By means of simulation, the selforganisation process becomes traceable and detailed information about the compositional and structural state during the ordering process is obtained. Based on simulation results, a recipe is proposed for producing broad distributions of ordered lamellar structures.", } @Article{zirkelbach2006, title = "Monte-Carlo simulation study of the self-organization of nanometric amorphous precipitates in regular arrays during ion irradiation", author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner and B. Stritzker", journal = "Nucl. Instr. and Meth. B", volume = "242", number = "1--2", pages = "679--682", numpages = "4", year = "2006", month = jan, doi = "doi:10.1016/j.nimb.2005.08.162", publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS", abstract = "High-dose ion implantation of materials that undergo drastic density change upon amorphization at certain implantation conditions results in periodically arranged, self-organized, nanometric configurations of the amorphous phase. A simple model explaining the phenomenon is introduced and implemented in a Monte-Carlo simulation code. Through simulation conditions for observing lamellar precipitates are specified and additional information about the compositional and structural state during the ordering process is gained.", } @Article{zirkelbach2005, title = "Modelling of a selforganization process leading to periodic arrays of nanometric amorphous precipitates by ion irradiation", author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner and B. Stritzker", journal = "Comp. Mater. Sci.", volume = "33", number = "1--3", pages = "310--316", numpages = "7", year = "2005", month = apr, doi = "doi:10.1016/j.commatsci.2004.12.016", publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS", abstract = "Ion irradiation of materials, which undergo a drastic density change upon amorphization have been shown to exhibit selforganized, nanometric structures of the amorphous phase in the crystalline host lattice. In order to better understand the process a Monte-Carlo-simulation code based on a simple model is developed. In the present work we focus on high-dose carbon implantations into silicon. The simulation is able to reproduce results gained by cross-sectional TEM measurements of high-dose carbon implanted silicon. Necessary conditions can be specified for the self-organization process and information is gained about the compositional and structural state during the ordering process which is difficult to be obtained by experiment.", } @Article{zirkelbach09, title = "Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon", journal = "Mater. Sci. Eng., B", volume = "159-160", number = "", pages = "149--152", year = "2009", note = "EMRS 2008 Spring Conference Symposium K: Advanced Silicon Materials Research for Electronic and Photovoltaic Applications", ISSN = "0921-5107", doi = "DOI: 10.1016/j.mseb.2008.10.010", URL = "http://www.sciencedirect.com/science/article/B6TXF-4TX1547-2/2/cb9f4921f324735087020ccce7843e39", author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and B. Stritzker", keywords = "Silicon", keywords = "Carbon", keywords = "Silicon carbide", keywords = "Nucleation", keywords = "Defect formation", keywords = "Molecular dynamics simulations", abstract = "The precipitation process of silicon carbide in heavily carbon doped silicon is not yet fully understood. High resolution transmission electron microscopy observations suggest that in a first step carbon atoms form C-Si dumbbells on regular Si lattice sites which agglomerate into large clusters. In a second step, when the cluster size reaches a radius of a few nm, the high interfacial energy due to the SiC/Si lattice misfit of almost 20\% is overcome and the precipitation occurs. By simulation, details of the precipitation process can be obtained on the atomic level. A recently proposed parametrization of a Tersoff-like bond order potential is used to model the system appropriately. Preliminary results gained by molecular dynamics simulations using this potential are presented.", } @Article{zirkelbach10, title = "Defects in carbon implanted silicon calculated by classical potentials and first-principles methods", author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J. K. N. Lindner and W. G. Schmidt and E. Rauls", journal = "Phys. Rev. B", volume = "82", number = "9", pages = "094110", numpages = "6", year = "2010", month = sep, doi = "10.1103/PhysRevB.82.094110", publisher = "American Physical Society", abstract = "A comparative theoretical investigation of carbon interstitials in silicon is presented. Calculations using classical potentials are compared to first-principles density-functional theory calculations of the geometries, formation, and activation energies of the carbon dumbbell interstitial, showing the importance of a quantum-mechanical description of this system. In contrast to previous studies, the present first-principles calculations of the interstitial carbon migration path yield an activation energy that excellently matches the experiment. The bond-centered interstitial configuration shows a net magnetization of two electrons, illustrating the need for spin-polarized calculations.", } @Article{zirkelbach11, journal = "Phys. Rev. B", month = aug, URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.064126", publisher = "American Physical Society", author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J. K. N. Lindner and W. G. Schmidt and E. Rauls", title = "Combined \textit{ab initio} and classical potential simulation study on silicon carbide precipitation in silicon", year = "2011", pages = "064126", numpages = "18", volume = "84", doi = "10.1103/PhysRevB.84.064126", issue = "6", abstract = "Atomistic simulations on the silicon carbide precipitation in bulk silicon employing both, classical potential and first-principles methods are presented. The calculations aim at a comprehensive, microscopic understanding of the precipitation mechanism in the context of controversial discussions in the literature. For the quantum-mechanical treatment, basic processes assumed in the precipitation process are calculated in feasible systems of small size. The migration mechanism of a carbon \hkl<1 0 0> interstitial and silicon \hkl<1 1 0> self-interstitial in otherwise defect-free silicon are investigated using density functional theory calculations. The influence of a nearby vacancy, another carbon interstitial and a substitutional defect as well as a silicon self-interstitial has been investigated systematically. Interactions of various combinations of defects have been characterized including a couple of selected migration pathways within these configurations. Almost all of the investigated pairs of defects tend to agglomerate allowing for a reduction in strain. The formation of structures involving strong carbon-carbon bonds turns out to be very unlikely. In contrast, substitutional carbon occurs in all probability. A long range capture radius has been observed for pairs of interstitial carbon as well as interstitial carbon and vacancies. A rather small capture radius is predicted for substitutional carbon and silicon self-interstitials. Initial assumptions regarding the precipitation mechanism of silicon carbide in bulk silicon are established and conformability to experimental findings is discussed. Furthermore, results of the accurate first-principles calculations on defects and carbon diffusion in silicon are compared to results of classical potential simulations revealing significant limitations of the latter method. An approach to work around this problem is proposed. Finally, results of the classical potential molecular dynamics simulations of large systems are examined, which reinforce previous assumptions and give further insight into basic processes involved in the silicon carbide transition.", } @Article{lindner95, author = "J. K. N. Lindner and A. Frohnwieser and B. Rauschenbach and B. Stritzker", title = "ke{V}- and Me{V}- Ion Beam Synthesis of Buried Si{C} Layers in Silicon", journal = "MRS Proc.", volume = "354", number = "", pages = "171", year = "1994", doi = "10.1557/PROC-354-171", URL = "http://dx.doi.org/10.1557/PROC-354-171", notes = "first time ibs at moderate temperatures", } @Article{lindner96, title = "Formation of buried epitaxial silicon carbide layers in silicon by ion beam synthesis", journal = "Mater. Chem. Phys.", volume = "46", number = "2-3", pages = "147--155", year = "1996", note = "", ISSN = "0254-0584", doi = "DOI: 10.1016/S0254-0584(97)80008-9", URL = "http://www.sciencedirect.com/science/article/B6TX4-3VSGY9S-8/2/f001f23c0b3bc0fc3fc683616588fbc7", author = "J. K. N. Lindner and K. Volz and U. Preckwinkel and B. Götz and A. Frohnwieser and B. Rauschenbach and B. Stritzker", notes = "dose window", } @Article{calcagno96, title = "Carbon clustering in Si[sub 1-x]{C}[sub x] formed by ion implantation", journal = "Nucl. Instrum. Methods Phys. Res. B", volume = "120", number = "1-4", pages = "121--124", year = "1996", note = "Proceedings of the E-MRS '96 Spring Meeting Symp. I on New Trends in Ion Beam Processing of Materials", ISSN = "0168-583X", doi = "DOI: 10.1016/S0168-583X(96)00492-2", URL = "http://www.sciencedirect.com/science/article/B6TJN-3VSHB0W-1S/2/164b9f4f972a02f44b341b0de28bba1d", author = "L. Calcagno and G. Compagnini and G. Foti and M. G. Grimaldi and P. Musumeci", notes = "dose window, graphitic bonds", } @Article{lindner98, title = "Mechanisms of Si{C} Formation in the Ion Beam Synthesis of 3{C}-Si{C} Layers in Silicon", journal = "Mater. Sci. Forum", volume = "264-268", pages = "215--218", year = "1998", note = "", doi = "10.4028/www.scientific.net/MSF.264-268.215", URL = "http://www.scientific.net/MSF.264-268.215", author = "J. K. N. Lindner and W. Reiber and B. Stritzker", notes = "intermediate temperature for sharp interface + good crystallinity", } @Article{lindner99, title = "Controlling the density distribution of Si{C} nanocrystals for the ion beam synthesis of buried Si{C} layers in silicon", journal = "Nucl. Instrum. Methods Phys. Res. B", volume = "147", number = "1-4", pages = "249--255", year = "1999", note = "", ISSN = "0168-583X", doi = "DOI: 10.1016/S0168-583X(98)00598-9", URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169", author = "J. K. N. Lindner and B. Stritzker", notes = "two-step implantation process", } @Article{lindner99_2, title = "Mechanisms in the ion beam synthesis of Si{C} layers in silicon", journal = "Nucl. Instrum. Methods Phys. Res. 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