Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/133319
Title: | Nanofilm versus Bulk Polymorphism in Wurtzite Materials |
Author: | Demiroglu, Ilker Bromley, Stefan Thomas |
Keywords: | Biofísica Nanociència Biophysics Nanoscience |
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: https://doi.org/10.1103/PhysRevLett.110.245501 |
It is part of: | Physical Review Letters, 2013, vol. 110, num. 24, p. 245501 |
URI: | http://hdl.handle.net/2445/133319 |
Related resource: | https://doi.org/10.1103/PhysRevLett.110.245501 |
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)) |
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