@Article{cmc.2013.038.105,
AUTHOR = {Aurora  Costales, C. J. F.  Solano, E.  Francisco, A. Martín  Pendás},
TITLE = {Theoretical Simulation of AlN Nanobelts and Nanorings},
JOURNAL = {Computers, Materials \& Continua},
VOLUME = {38},
YEAR = {2013},
NUMBER = {2},
PAGES = {105--128},
URL = {http://www.techscience.com/cmc/v38n2/23496},
ISSN = {1546-2226},
ABSTRACT = {An extension of our previously reported periodic cluster model (<i>J. Phys. Chem. C</i> <b>2008</b>, 112, 6667-6676 ) to nanorings and nanobelts is presented. This new scheme allows for accurately calculating reasonably large nanostructures while preserving a very small number of optimization parameters. The model has been applied to a number of AlN semiconducting structures using ab initio pair potentials. Attention has been paid to the variation of the B1-B4 phase transition pressure as the the size of the structures is varied.},
DOI = {10.3970/cmc.2013.038.105}
}