Please use this identifier to cite or link to this item:
Title: Nanofilm versus Bulk Polymorphism in Wurtzite Materials
Author: Demiroglu, Ilker
Bromley, Stefan Thomas
Keywords: Biofísica
Issue Date: 13-Jun-2013
Publisher: American Physical Society
Abstract: We generate a wide range of hexagonal sheet-based ZnO polymorphs inspired by enumeration of their characteristic underlying nets. Evaluating the bulk and nanofilm stabilities of these structures with ab initio calculations allows for an unprecedented overview of (nano)polymorphism in wurtzite materials. We find a rich low energy nanofilm polymorphism with a totally distinct stability ordering to that in the bulk. From this general basis we provide new insights into structural transitions observed during epitaxial growth and predictions for nanofilm stability with varying strain or thickness.
Note: Reproducció del document publicat a:
It is part of: Physical Review Letters, 2013, vol. 110, num. 24, p. 245501
Related resource:
ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

Files in This Item:
File Description SizeFormat 
631099.pdf805.14 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.