From: hackbard Date: Tue, 26 Jul 2011 11:22:58 +0000 (+0200) Subject: added abstract of my own publications X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=67f277f9e3fe7dea7f9158e4d776749c1571c5c1;p=lectures%2Flatex.git added abstract of my own publications --- diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib index 8796de2..0f1d404 100644 --- a/bibdb/bibdb.bib +++ b/bibdb/bibdb.bib @@ -1371,6 +1371,24 @@ 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, @@ -1389,6 +1407,17 @@ 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, @@ -1407,6 +1436,21 @@ 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, @@ -1431,6 +1475,22 @@ 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, @@ -1447,29 +1507,73 @@ 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 silicon carbide precipitation", + 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,