From bed18764c169d6de1b2bc82fc8a337006d0f5b9d Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 10 Oct 2013 09:17:29 +0200 Subject: [PATCH] added 2012 publication --- bibdb/bibdb.bib | 46 ++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 46 insertions(+) diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib index 12ef6db..ebe3196 100644 --- a/bibdb/bibdb.bib +++ b/bibdb/bibdb.bib @@ -1593,6 +1593,52 @@ processes involved in the silicon carbide transition.", } +@Article{zirkelbach12, + author = "F. Zirkelbach and B. Stritzker and K. Nordlund and W. + G. Schmidt and E. Rauls and J. K. N. Lindner", + title = "First-principles and empirical potential simulation + study of intrinsic and carbon-related defects in + silicon", + journal = "physica status solidi (c)", + volume = "9", + number = "10-11", + publisher = "WILEY-VCH Verlag", + ISSN = "1610-1642", + URL = "http://dx.doi.org/10.1002/pssc.201200198", + doi = "10.1002/pssc.201200198", + pages = "1968--1973", + keywords = "silicon, carbon, silicon carbide, defect formation, + defect migration, density functional theory, empirical + potential, molecular dynamics", + year = "2012", + abstract = "Results of atomistic simulations aimed at + understanding precipitation of the highly attractive + wide band gap semiconductor material silicon carbide in + silicon are presented. The study involves a systematic + investigation of intrinsic and carbon-related defects + as well as defect combinations and defect migration by + both, quantummechanical first-principles as well as + empirical potential methods. Comparing formation and + activation energies, ground-state structures of defects + and defect combinations as well as energetically + favorable agglomeration of defects are predicted. + Moreover, accurate ab initio calculations unveil + limitations of the analytical method based on a + Tersoff-like bond order potential. A work-around is + proposed in order to subsequently apply the highly + efficient technique on large structures not accessible + by first-principles methods. The outcome of both types + of simulation provides a basic microscopic + understanding of defect formation and structural + evolution particularly at non-equilibrium conditions + strongly deviated from the ground state as commonly + found in SiC growth processes. A possible precipitation + mechanism, which conforms well to experimental findings + and clarifies contradictory views present in the + literature is outlined (© 2012 WILEY-VCH Verlag GmbH & + Co. KGaA, Weinheim)", +} + @Article{lindner95, author = "J. K. N. Lindner and A. Frohnwieser and B. Rauschenbach and B. Stritzker", -- 2.39.2