pages = "827--835",
month = mar,
year = "2003",
- notes = "dual implantation, sic prec enhanced by vacancies",
+ notes = "dual implantation, sic prec enhanced by vacancies,
+ precipitation by interstitial and substitutional
+ carbon, both mechanisms explained + refs",
}
@Book{laplace,
dumbbell configuration",
}
-@Article{gao02,
+@Article{gao02a,
title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
Defect accumulation, topological features, and
disordering",
notes = "si self interstitial, diffusion, tbmd",
}
+@Article{johnson98,
+ author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
+ Rubia",
+ collaboration = "",
+ title = "A kinetic Monte--Carlo study of the effective
+ diffusivity of the silicon self-interstitial in the
+ presence of carbon and boron",
+ publisher = "AIP",
+ year = "1998",
+ journal = "Journal of Applied Physics",
+ volume = "84",
+ number = "4",
+ pages = "1963--1967",
+ keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
+ CARBON ADDITIONS; BORON ADDITIONS; elemental
+ semiconductors; self-diffusion",
+ URL = "http://link.aip.org/link/?JAP/84/1963/1",
+ doi = "10.1063/1.368328",
+ notes = "kinetic monte carlo of si self interstitial
+ diffsuion",
+}
+
@Article{bar-yam84,
title = "Barrier to Migration of the Silicon
Self-Interstitial",
notes = "si self-interstitial migration barrier",
}
+@Article{bar-yam84_2,
+ title = "Electronic structure and total-energy migration
+ barriers of silicon self-interstitials",
+ author = "Y. Bar-Yam and J. D. Joannopoulos",
+ journal = "Phys. Rev. B",
+ volume = "30",
+ number = "4",
+ pages = "1844--1852",
+ numpages = "8",
+ year = "1984",
+ month = aug,
+ doi = "10.1103/PhysRevB.30.1844",
+ publisher = "American Physical Society",
+}
+
+@Article{bloechl93,
+ title = "First-principles calculations of self-diffusion
+ constants in silicon",
+ author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
+ and D. B. Laks and W. Andreoni and S. T. Pantelides",
+ journal = "Phys. Rev. Lett.",
+ volume = "70",
+ number = "16",
+ pages = "2435--2438",
+ numpages = "3",
+ year = "1993",
+ month = apr,
+ doi = "10.1103/PhysRevLett.70.2435",
+ publisher = "American Physical Society",
+ notes = "si self int diffusion by ab initio md, formation
+ entropy calculations",
+}
+
@Article{colombo02,
title = "Tight-binding theory of native point defects in
silicon",
silicon, si self interstitials, free energy",
}
+@Article{goedecker02,
+ title = "A Fourfold Coordinated Point Defect in Silicon",
+ author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
+ journal = "Phys. Rev. Lett.",
+ volume = "88",
+ number = "23",
+ pages = "235501",
+ numpages = "4",
+ year = "2002",
+ month = may,
+ doi = "10.1103/PhysRevLett.88.235501",
+ publisher = "American Physical Society",
+ notes = "first time ffcd, fourfold coordinated point defect in
+ silicon",
+}
+
+@Article{hobler05,
+ title = "Ab initio calculations of the interaction between
+ native point defects in silicon",
+ journal = "Materials Science and Engineering: B",
+ volume = "124-125",
+ number = "",
+ pages = "368--371",
+ year = "2005",
+ note = "EMRS 2005, Symposium D - Materials Science and Device
+ Issues for Future Technologies",
+ ISSN = "0921-5107",
+ doi = "DOI: 10.1016/j.mseb.2005.08.072",
+ URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
+ author = "G. Hobler and G. Kresse",
+ notes = "vasp intrinsic si defect interaction study, capture
+ radius",
+}
+
@Article{ma10,
title = "Ab initio study of self-diffusion in silicon over a
wide temperature range: Point defect states and
notes = "si self interstitial diffusion + refs",
}
+@Article{posselt06,
+ title = "Atomistic simulations on the thermal stability of the
+ antisite pair in 3{C}- and 4{H}-Si{C}",
+ author = "M. Posselt and F. Gao and W. J. Weber",
+ journal = "Phys. Rev. B",
+ volume = "73",
+ number = "12",
+ pages = "125206",
+ numpages = "8",
+ year = "2006",
+ month = mar,
+ doi = "10.1103/PhysRevB.73.125206",
+ publisher = "American Physical Society",
+}
+
@Article{posselt08,
title = "Correlation between self-diffusion in Si and the
migration mechanisms of vacancies and
notes = "defects in 3c-sic",
}
+@Article{gao02,
+ title = "Empirical potential approach for defect properties in
+ 3{C}-Si{C}",
+ journal = "Nuclear Instruments and Methods in Physics Research
+ Section B: Beam Interactions with Materials and Atoms",
+ volume = "191",
+ number = "1-4",
+ pages = "504--508",
+ year = "2002",
+ note = "",
+ ISSN = "0168-583X",
+ doi = "DOI: 10.1016/S0168-583X(02)00600-6",
+ URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
+ author = "Fei Gao and William J. Weber",
+ keywords = "Empirical potential",
+ keywords = "Defect properties",
+ keywords = "Silicon carbide",
+ keywords = "Computer simulation",
+ notes = "sic potential, brenner type, like erhart/albe",
+}
+
+@Article{gao04,
+ title = "Atomistic study of intrinsic defect migration in
+ 3{C}-Si{C}",
+ author = "Fei Gao and William J. Weber and M. Posselt and V.
+ Belko",
+ journal = "Phys. Rev. B",
+ volume = "69",
+ number = "24",
+ pages = "245205",
+ numpages = "5",
+ year = "2004",
+ month = jun,
+ doi = "10.1103/PhysRevB.69.245205",
+ publisher = "American Physical Society",
+ notes = "defect migration in sic",
+}
+
+@Article{gao07,
+ author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
+ W. J. Weber",
+ collaboration = "",
+ title = "Ab Initio atomic simulations of antisite pair recovery
+ in cubic silicon carbide",
+ publisher = "AIP",
+ year = "2007",
+ journal = "Applied Physics Letters",
+ volume = "90",
+ number = "22",
+ eid = "221915",
+ numpages = "3",
+ pages = "221915",
+ keywords = "ab initio calculations; silicon compounds; antisite
+ defects; wide band gap semiconductors; molecular
+ dynamics method; density functional theory;
+ electron-hole recombination; photoluminescence;
+ impurities; diffusion",
+ URL = "http://link.aip.org/link/?APL/90/221915/1",
+ doi = "10.1063/1.2743751",
+}
+
@Article{mattoni2002,
title = "Self-interstitial trapping by carbon complexes in
crystalline silicon",
dumbbell",
}
+@Article{capaz98,
+ title = "Theory of carbon-carbon pairs in silicon",
+ author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
+ journal = "Phys. Rev. B",
+ volume = "58",
+ number = "15",
+ pages = "9845--9850",
+ numpages = "5",
+ year = "1998",
+ month = oct,
+ doi = "10.1103/PhysRevB.58.9845",
+ publisher = "American Physical Society",
+ notes = "c_i c_s pair configuration, theoretical results",
+}
+
+@Article{song90_2,
+ title = "Bistable interstitial-carbon--substitutional-carbon
+ pair in silicon",
+ author = "L. W. Song and X. D. Zhan and B. W. Benson and G. D.
+ Watkins",
+ journal = "Phys. Rev. B",
+ volume = "42",
+ number = "9",
+ pages = "5765--5783",
+ numpages = "18",
+ year = "1990",
+ month = sep,
+ doi = "10.1103/PhysRevB.42.5765",
+ publisher = "American Physical Society",
+ notes = "c_i c_s pair configuration, experimental results",
+}
+
+@Article{liu02,
+ author = "Chun-Li Liu and Wolfgang Windl and Len Borucki and
+ Shifeng Lu and Xiang-Yang Liu",
+ collaboration = "",
+ title = "Ab initio modeling and experimental study of {C}--{B}
+ interactions in Si",
+ publisher = "AIP",
+ year = "2002",
+ journal = "Applied Physics Letters",
+ volume = "80",
+ number = "1",
+ pages = "52--54",
+ keywords = "silicon; boron; carbon; elemental semiconductors;
+ impurity-defect interactions; ab initio calculations;
+ secondary ion mass spectra; diffusion; interstitials",
+ URL = "http://link.aip.org/link/?APL/80/52/1",
+ doi = "10.1063/1.1430505",
+ notes = "c-c 100 split, lower as a and b states of capaz",
+}
+
@Article{dal_pino93,
title = "Ab initio investigation of carbon-related defects in
silicon",
@Article{song90,
title = "{EPR} identification of the single-acceptor state of
interstitial carbon in silicon",
- author = "G. D. Watkins L. W. Song",
+ author = "L. W. Song and G. D. Watkins",
journal = "Phys. Rev. B",
volume = "42",
number = "9",
volume = "",
number = "",
pages = "675--678",
- keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
- atom/radiation induced defect interaction;C depth
- distribution;C precipitation;C-Si defects;C-Si
- dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
- energy ion implantation;ion implantation;metastable
- agglomerates;microdefects;positron annihilation
- spectroscopy;rapid thermal annealing;secondary ion mass
- spectrometry;vacancy clusters;buried
- layers;carbon;elemental semiconductors;impurity-defect
- interactions;ion implantation;positron
- annihilation;precipitation;rapid thermal
- annealing;secondary ion mass
- spectra;silicon;transmission electron
- microscopy;vacancies (crystal);",
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 = "Applied Physics Letters",
+ 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{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",
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",
+ 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 = "Journal of Applied Physics",
+ 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,
NETHERLANDS",
}
+@Article{zirkelbach09,
+ title = "Molecular dynamics simulation of defect formation and
+ precipitation in heavily carbon doped silicon",
+ journal = "Materials Science and Engineering: 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",
+}
+
+@Article{zirkelbach10a,
+ title = "Defects in Carbon implanted Silicon calculated by
+ classical potentials and first principles methods",
+ journal = "to be published",
+ volume = "",
+ number = "",
+ pages = "",
+ year = "2010",
+ author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
+ K. N. Lindner and W. G. Schmidtd and E. Rauls",
+}
+
+@Article{zirkelbach10b,
+ title = "Extensive first principles study of carbon defects in
+ silicon",
+ journal = "to be published",
+ volume = "",
+ number = "",
+ pages = "",
+ year = "2010",
+ author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
+ K. N. Lindner and W. G. Schmidtd and E. Rauls",
+}
+
+@Article{zirkelbach10c,
+ title = "...",
+ journal = "to be published",
+ volume = "",
+ number = "",
+ pages = "",
+ year = "2010",
+ author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
+ K. N. Lindner and W. G. Schmidtd and E. Rauls",
+}
+
@Article{lindner99,
title = "Controlling the density distribution of Si{C}
nanocrystals for the ion beam synthesis of buried Si{C}
notes = "ibs, burried sic layers",
}
+@Article{lindner06,
+ title = "On the balance between ion beam induced nanoparticle
+ formation and displacive precipitate resolution in the
+ {C}-Si system",
+ journal = "Materials Science and Engineering: C",
+ volume = "26",
+ number = "5-7",
+ pages = "857--861",
+ year = "2006",
+ note = "Current Trends in Nanoscience - from Materials to
+ Applications",
+ ISSN = "0928-4931",
+ doi = "DOI: 10.1016/j.msec.2005.09.099",
+ URL = "http://www.sciencedirect.com/science/article/B6TXG-4HSXVVM-1/2/5b0e351198cc2e8f5f4446a80a73d04a",
+ author = "J. K. N. Lindner and M. H{\"a}berlen and G. Thorwarth
+ and B. Stritzker",
+ notes = "c int diffusion barrier",
+}
+
@Article{ito04,
title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
application in buffer layer for Ga{N} epitaxial
FILMS; INDUSTRY",
URL = "http://link.aip.org/link/?JAP/76/1363/1",
doi = "10.1063/1.358463",
+ notes = "sic intro, properties",
+}
+
+@Article{neudeck95,
+ author = "P. G. Neudeck",
+ title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
+ {ELECTRONICS} {TECHNOLOGY}",
+ journal = "Journal of Electronic Materials",
+ year = "1995",
+ volume = "24",
+ number = "4",
+ pages = "283--288",
+ month = apr,
}
@Article{foo,
doi = "DOI: 10.1016/0038-1101(96)00045-7",
URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
author = "J. B. Casady and R. W. Johnson",
- notes = "sic intro"
+ notes = "sic intro",
}
@Article{giancarli98,
model, interface",
}
+@Article{chirita97,
+ title = "Strain relaxation and thermal stability of the
+ 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
+ dynamics study",
+ journal = "Thin Solid Films",
+ volume = "294",
+ number = "1-2",
+ pages = "47--49",
+ year = "1997",
+ note = "",
+ ISSN = "0040-6090",
+ doi = "DOI: 10.1016/S0040-6090(96)09257-7",
+ URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
+ author = "V. Chirita and L. Hultman and L. R. Wallenberg",
+ keywords = "Strain relaxation",
+ keywords = "Interfaces",
+ keywords = "Thermal stability",
+ keywords = "Molecular dynamics",
+ notes = "tersoff sic/si interface study",
+}
+
+@Article{cicero02,
+ title = "Ab initio Study of Misfit Dislocations at the
+ $Si{C}/Si(001)$ Interface",
+ author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
+ Catellani",
+ journal = "Phys. Rev. Lett.",
+ volume = "89",
+ number = "15",
+ pages = "156101",
+ numpages = "4",
+ year = "2002",
+ month = sep,
+ doi = "10.1103/PhysRevLett.89.156101",
+ publisher = "American Physical Society",
+ notes = "sic/si interface study",
+}
+
@Article{pizzagalli03,
title = "Theoretical investigations of a highly mismatched
interface: Si{C}/Si(001)",
precipitation; semiconductor doping",
URL = "http://link.aip.org/link/?JAP/86/4184/1",
doi = "10.1063/1.371344",
- notes = "sic conversion by ibs, detected substitutional
- carbon",
+ notes = "sic conversion by ibs, detected substitutional carbon,
+ expansion of si lattice",
}
@Article{eichhorn02,
notes = "tersoff stringent test",
}
+@Article{mazzarolo01,
+ title = "Low-energy recoils in crystalline silicon: Quantum
+ simulations",
+ author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
+ Lulli and Eros Albertazzi",
+ journal = "Phys. Rev. B",
+ volume = "63",
+ number = "19",
+ pages = "195207",
+ numpages = "4",
+ year = "2001",
+ month = apr,
+ doi = "10.1103/PhysRevB.63.195207",
+ publisher = "American Physical Society",
+}
+
@Article{holmstroem08,
title = "Threshold defect production in silicon determined by
density functional theory molecular dynamics
annealing",
URL = "http://link.aip.org/link/?JAP/84/4631/1",
doi = "10.1063/1.368703",
- notes = "coherent 3C-SiC, topotactic",
+ notes = "coherent 3C-SiC, topotactic, critical coherence size",
}
@Article{jones04,
doi = "10.1103/PhysRevB.55.2188",
publisher = "American Physical Society",
notes = "ab initio c in si and di-carbon defect, no formation
- energies",
+ energies, different migration barriers and paths",
}
@Article{burnard93,
carbon defect, formation energies",
}
+@Article{besson91,
+ title = "Electronic structure of interstitial carbon in
+ silicon",
+ author = "Morgan Besson and Gary G. DeLeo",
+ journal = "Phys. Rev. B",
+ volume = "43",
+ number = "5",
+ pages = "4028--4033",
+ numpages = "5",
+ year = "1991",
+ month = feb,
+ doi = "10.1103/PhysRevB.43.4028",
+ publisher = "American Physical Society",
+}
+
@Article{kaxiras96,
title = "Review of atomistic simulations of surface diffusion
and growth on semiconductors",
notes = "constrained conjugate gradient relaxation technique
(crt)",
}
+
+@Article{gali03,
+ title = "Correlation between the antisite pair and the ${DI}$
+ center in Si{C}",
+ author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
+ I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
+ W. J. Choyke",
+ journal = "Phys. Rev. B",
+ volume = "67",
+ number = "15",
+ pages = "155203",
+ numpages = "5",
+ year = "2003",
+ month = apr,
+ doi = "10.1103/PhysRevB.67.155203",
+ publisher = "American Physical Society",
+}
+
+@Article{chen98,
+ title = "Production and recovery of defects in Si{C} after
+ irradiation and deformation",
+ journal = "Journal of Nuclear Materials",
+ volume = "258-263",
+ number = "Part 2",
+ pages = "1803--1808",
+ year = "1998",
+ note = "",
+ ISSN = "0022-3115",
+ doi = "DOI: 10.1016/S0022-3115(98)00139-1",
+ URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
+ author = "J. Chen and P. Jung and H. Klein",
+}
+
+@Article{weber01,
+ title = "Accumulation, dynamic annealing and thermal recovery
+ of ion-beam-induced disorder in silicon carbide",
+ journal = "Nuclear Instruments and Methods in Physics Research
+ Section B: Beam Interactions with Materials and Atoms",
+ volume = "175-177",
+ number = "",
+ pages = "26--30",
+ year = "2001",
+ note = "",
+ ISSN = "0168-583X",
+ doi = "DOI: 10.1016/S0168-583X(00)00542-5",
+ URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
+ author = "W. J. Weber and W. Jiang and S. Thevuthasan",
+ keywords = "Amorphization",
+ keywords = "Irradiation effects",
+ keywords = "Thermal recovery",
+ keywords = "Silicon carbide",
+}
+
+@Article{bockstedte03,
+ title = "Ab initio study of the migration of intrinsic defects
+ in $3{C}-Si{C}$",
+ author = "Michel Bockstedte and Alexander Mattausch and Oleg
+ Pankratov",
+ journal = "Phys. Rev. B",
+ volume = "68",
+ number = "20",
+ pages = "205201",
+ numpages = "17",
+ year = "2003",
+ month = nov,
+ doi = "10.1103/PhysRevB.68.205201",
+ publisher = "American Physical Society",
+ notes = "defect migration in sic",
+}
+
+@Article{rauls03a,
+ title = "Theoretical study of vacancy diffusion and
+ vacancy-assisted clustering of antisites in Si{C}",
+ author = "E. Rauls and Th. Frauenheim and A. Gali and P.
+ De\'ak",
+ journal = "Phys. Rev. B",
+ volume = "68",
+ number = "15",
+ pages = "155208",
+ numpages = "9",
+ year = "2003",
+ month = oct,
+ doi = "10.1103/PhysRevB.68.155208",
+ publisher = "American Physical Society",
+}