Size- and shape-dependent phase diagram of In-Sb nano-alloys

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Bibtex

@article{9961bf88cd274c8c8543ceacd3972d5d,
title = "Size- and shape-dependent phase diagram of In-Sb nano-alloys",
abstract = "Nano-scale alloy systems with at least one dimension below 100 nm have different phase stabilities than those observed in the macro-scale systems due to a large surface to volume ratio. We have used the semi-empirical thermodynamic modelling, i.e. the CALPHAD method, to predict the phase equilibria of the In-Sb nano-scale systems as a function of size and shape. To calculate the size- and shape-dependent phase diagram of the In-Sb system, we have added size-dependent surface energy terms to the Gibbs energy expressions in the In-Sb thermodynamic database. We estimated the surface energies of the solution phases and of the InSb intermetallic phase using the Butler equation and DFT calculations, respectively. A melting point and eutectic point depression were observed for both nanoparticle and nanowire systems. The eutectic composition on the In-rich and Sb-rich sides of the phase diagram shifted towards higher solubility. We believe that the phase diagram of In-Sb nano-alloys is useful for an increased understanding of the growth parameters and mechanisms of InSb nanostructures.",
keywords = "Thermodynamic modelling, CALPHAD, Density Functional Theory, Size-dependent phase diagram, In-Sb",
author = "Masoomeh Ghasemi and Zeila Zanolli and Martin Stankovski and Jonas Johansson",
year = "2015",
doi = "10.1039/c5nr04014k",
language = "English",
volume = "7",
pages = "17387--17396",
journal = "Nanoscale",
issn = "2040-3372",
publisher = "Royal Society of Chemistry",
number = "41",

}