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Atomic‐scale study of vapour growth morphology of crystalline urea
Author(s) -
Singh M. K.,
Banerjee A.
Publication year - 2011
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201100251
Subject(s) - morphology (biology) , crystal habit , context (archaeology) , relaxation (psychology) , chemistry , urea , energetics , habit , crystallography , polar , thermodynamics , chemical physics , crystallization , physics , zoology , organic chemistry , biology , psychology , paleontology , astronomy , neuroscience , psychotherapist
The role of surface relaxation on habit controlling energetics and growth morphology are investigated within the framework of Burton‐Cabrera‐Frank (BCF) and Hartman‐Perdok (HP) models. The habit controlling energetics has been calculated using first principles method. The growth morphology obtained using BCF theory shows that the structural relaxation has considerable effect on growth morphology. The relaxed growth morphology obtained using BCF model match with the experimental result from vapour phase. On the other hand the shape obtained using HP model does not correspond with the experimental shape. Observed polar growth morphology of urea crystal has been discussed particularly in the context of different atomic environments of (111) and (111) faces. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)