@Article{schroedinger26,
author = "E. Schrödinger",
title = "Quantisierung als Eigenwertproblem",
- journal = "Annalen der Physik",
+ journal = "Ann. Phys. (Leipzig)",
volume = "384",
number = "4",
publisher = "WILEY-VCH Verlag",
affiliation = "Institut d. Universität f. theor. Physik Leipzig",
title = "Über die Quantenmechanik der Elektronen in
Kristallgittern",
- journal = "Zeitschrift für Physik A Hadrons and Nuclei",
+ journal = "Z. Phys.",
publisher = "Springer Berlin / Heidelberg",
ISSN = "0939-7922",
keyword = "Physics and Astronomy",
@Article{erhart04,
title = "The role of thermostats in modeling vapor phase
condensation of silicon nanoparticles",
- journal = "Applied Surface Science",
+ journal = "Appl. Surf. Sci.",
volume = "226",
number = "1-3",
pages = "12--18",
title = "Synthesis of nano-sized Si{C} precipitates in Si by
simultaneous dual-beam implantation of {C}+ and Si+
ions",
- journal = "Appl. Phys. A: Mater. Sci. Process.",
+ journal = "Appl. Phys. A",
volume = "76",
pages = "827--835",
month = mar,
@Article{skorupa96,
title = "Carbon-mediated effects in silicon and in
silicon-related materials",
- journal = "Materials Chemistry and Physics",
+ journal = "Mater. Chem. Phys.",
volume = "44",
number = "2",
pages = "101--143",
author = "Henri Moissan",
title = "Nouvelles recherches sur la météorité de Cañon
Diablo",
- journal = "Comptes rendus de l'Académie des Sciences",
+ journal = "C. R. Acad. Sci.",
volume = "139",
pages = "773--786",
year = "1904",
author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
Calvin H. Carter Jr. and D. Asbury",
title = "Si{C} Seeded Boule Growth",
- journal = "Materials Science Forum",
+ journal = "Mater. Sci. Forum",
volume = "264-268",
pages = "3--8",
year = "1998",
@Article{bean70,
title = "Low temperature electron irradiation of silicon
containing carbon",
- journal = "Solid State Communications",
+ journal = "Solid State Commun.",
volume = "8",
number = "3",
pages = "175--177",
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,
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,
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,
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,
month = sep,
doi = "10.1103/PhysRevB.82.094110",
publisher = "American Physical Society",
-}
-
-@Article{zirkelbach11a,
- title = "First principles study of defects in carbon implanted
- silicon",
- journal = "to be published",
- volume = "",
- number = "",
- pages = "",
- year = "2011",
- author = "F. Zirkelbach and B. Stritzker and J. K. N. Lindner
- and W. G. Schmidt and E. Rauls",
-}
-
-@Article{zirkelbach11b,
- title = "...",
- journal = "to be published",
+ 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,
+ title = "Combined ab initio and classical potential simulation
+ study on the silicon carbide precipitation in silicon",
+ journal = "accepted for publication in Phys. Rev. B",
volume = "",
number = "",
pages = "",
year = "2011",
author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
K. N. Lindner and W. G. Schmidt and E. Rauls",
+ 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,
Rauschenbach and B. Stritzker",
title = "ke{V}- and Me{V}- Ion Beam Synthesis of Buried Si{C}
Layers in Silicon",
- journal = "MRS Online Proceedings Library",
+ journal = "MRS Proc.",
volume = "354",
number = "",
pages = "171",
@Article{lindner96,
title = "Formation of buried epitaxial silicon carbide layers
in silicon by ion beam synthesis",
- journal = "Materials Chemistry and Physics",
+ journal = "Mater. Chem. Phys.",
volume = "46",
number = "2-3",
pages = "147--155",
@Article{calcagno96,
title = "Carbon clustering in Si[sub 1-x]{C}[sub x] formed by
ion implantation",
- journal = "Nuclear Instruments and Methods in Physics Research
- Section B: Beam Interactions with Materials and Atoms",
+ journal = "Nucl. Instrum. Methods Phys. Res. B",
volume = "120",
number = "1-4",
pages = "121--124",
@Article{lindner98,
title = "Mechanisms of Si{C} Formation in the Ion Beam
Synthesis of 3{C}-Si{C} Layers in Silicon",
- journal = "Materials Science Forum",
+ journal = "Mater. Sci. Forum",
volume = "264-268",
pages = "215--218",
year = "1998",
title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
application in buffer layer for Ga{N} epitaxial
growth",
- journal = "Applied Surface Science",
+ journal = "Appl. Surf. Sci.",
volume = "238",
number = "1-4",
pages = "159--164",
@Article{liu_l02,
title = "Substrates for gallium nitride epitaxy",
- journal = "Materials Science and Engineering: R: Reports",
+ journal = "Mater. Sci. Eng., R",
volume = "37",
number = "3",
pages = "61--127",
@Article{davis91,
author = "R. F. Davis and G. Kelner and M. Shur and J. W.
Palmour and J. A. Edmond",
- journal = "Proceedings of the IEEE",
+ journal = "Proc. IEEE",
title = "Thin film deposition and microelectronic and
optoelectronic device fabrication and characterization
in monocrystalline alpha and beta silicon carbide",
@Article{sarro00,
title = "Silicon carbide as a new {MEMS} technology",
- journal = "Sensors and Actuators A: Physical",
+ journal = "Seonsor. Actuator. A",
volume = "82",
number = "1-3",
pages = "210--218",
title = "Status of silicon carbide (Si{C}) as a wide-bandgap
semiconductor for high-temperature applications: {A}
review",
- journal = "Solid-State Electronics",
+ journal = "Solid-State Electron.",
volume = "39",
number = "10",
pages = "1409--1422",
@Article{giancarli98,
title = "Design requirements for Si{C}/Si{C} composites
structural material in fusion power reactor blankets",
- journal = "Fusion Engineering and Design",
+ journal = "Fusion Eng. Des.",
volume = "41",
number = "1-4",
pages = "165--171",
@Article{pensl93,
title = "Electrical and optical characterization of Si{C}",
- journal = "Physica B: Condensed Matter",
+ journal = "Physica B",
volume = "185",
number = "1-4",
pages = "264--283",
by ion implantation",
publisher = "Taylor \& Francis",
year = "1976",
- journal = "Radiation Effects",
+ journal = "Radiat. Eff.",
volume = "29",
number = "1",
pages = "13--15",
by high doses of 70 and 310 ke{V} carbon ions",
publisher = "Taylor \& Francis",
year = "1980",
- journal = "Radiation Effects",
+ journal = "Radiat. Eff.",
volume = "48",
number = "1",
pages = "7",
compounds formed in silicon by ion beam synthesis",
publisher = "Taylor \& Francis",
year = "1986",
- journal = "Radiation Effects",
+ journal = "Radiat. Eff.",
volume = "99",
number = "1",
pages = "71--81",
Netherlands",
title = "Boron implantations in silicon: {A} comparison of
charge carrier and boron concentration profiles",
- journal = "Applied Physics A: Materials Science \& Processing",
+ journal = "Appl. Phys. A",
publisher = "Springer Berlin / Heidelberg",
ISSN = "0947-8396",
keyword = "Physics and Astronomy",
author = "E Kasper",
title = "Superlattices of group {IV} elements, a new
possibility to produce direct band gap material",
- journal = "Physica Scripta",
+ journal = "Phys. Scr.",
volume = "T35",
pages = "232--236",
URL = "http://stacks.iop.org/1402-4896/T35/232",
@Article{born27,
author = "M. Born and R. Oppenheimer",
title = "Zur Quantentheorie der Molekeln",
- journal = "Annalen der Physik",
+ journal = "Ann. Phys. (Leipzig)",
volume = "389",
number = "20",
publisher = "WILEY-VCH Verlag",
@Article{thomas27,
title = "The calculation of atomic fields",
author = "L. H. Thomas",
- journal = "Mathematical Proceedings of the Cambridge
- Philosophical Society",
+ journal = "Proc. Cambridge Philos. Soc.",
volume = "23",
pages = "542--548",
year = "1927",
title = "The Wave Mechanics of an Atom with a Non-Coulomb
Central Field. Part {I}. Theory and Methods",
author = "D. R. Hartree",
- journal = "Mathematical Proceedings of the Cambridge
- Philosophical Society",
+ journal = "Proc. Cambridge Philos. Soc.",
volume = "24",
pages = "89--110",
year = "1928",
@Article{perdew02,
title = "Generalized gradient approximations for exchange and
correlation: {A} look backward and forward",
- journal = "Physica B: Condensed Matter",
+ journal = "Physica B",
volume = "172",
number = "1-2",
pages = "1--6",
@Article{losev28,
title = "Luminous carborundum detector and detection effect and
oscillations with crystals",
- journal = "Philosophical Magazine Series 7",
+ journal = "Philos. Mag. Series 7",
volume = "6",
number = "39",
pages = "1024--1044",
@Article{allendorf91,
title = "The adsorption of {H}-atoms on polycrystalline
[beta]-silicon carbide",
- journal = "Surface Science",
+ journal = "Surf. Sci.",
volume = "258",
number = "1-3",
pages = "177--189",
@Article{newman85,
author = "Ronald C. Newman",
title = "Carbon in Crystalline Silicon",
- journal = "MRS Online Proceedings Library",
+ journal = "MRS Proc.",
volume = "59",
number = "",
pages = "403",
@Article{goesele85,
author = "U. Gösele",
title = "The Role of Carbon and Point Defects in Silicon",
- journal = "MRS Online Proceedings Library",
+ journal = "MRS Proc.",
volume = "59",
number = "",
pages = "419",
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