added 2012 publication

diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib
index 12ef6dbf7d4a462fb23032feaaae3f9c7c57d4cb..ebe3196e878915818c68a10efae1ab7f2f78aff3 100644 (file)
--- 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",