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

Ghasemi, Masoomeh LU ; Zanolli, Zeila; Stankovski, Martin LU and Johansson, Jonas LU (2015) In Nanoscale 7(41). p.17387-17396
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... (More)
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. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Thermodynamic modelling, CALPHAD, Density Functional Theory, Size-dependent phase diagram, In-Sb
in
Nanoscale
volume
7
issue
41
pages
17387 - 17396
publisher
Royal Society of Chemistry
external identifiers
  • pmid:26440811
  • wos:000363181600027
  • scopus:84945157586
ISSN
2040-3372
DOI
10.1039/c5nr04014k
language
English
LU publication?
yes
id
9961bf88-cd27-4c8c-8543-ceacd3972d5d (old id 8081974)
date added to LUP
2015-10-23 12:06:13
date last changed
2017-10-01 03:22:41
@article{9961bf88-cd27-4c8c-8543-ceacd3972d5d,
  abstract     = {Nano-scale alloy systems with at least one dimension below 100 nm have different phase stabilities<br/><br>
than those observed in the macro-scale systems due to a large surface to volume ratio. We<br/><br>
have used the semi-empirical thermodynamic modelling, i.e. the CALPHAD method, to predict the<br/><br>
phase equilibria of the In-Sb nano-scale systems as a function of size and shape. To calculate the<br/><br>
size- and shape-dependent phase diagram of the In-Sb system, we have added size-dependent<br/><br>
surface energy terms to the Gibbs energy expressions in the In-Sb thermodynamic database. We<br/><br>
estimated the surface energies of the solution phases and of the InSb intermetallic phase using<br/><br>
the Butler equation and DFT calculations, respectively. A melting point and eutectic point depression<br/><br>
were observed for both nanoparticle and nanowire systems. The eutectic composition on the<br/><br>
In-rich and Sb-rich sides of the phase diagram shifted towards higher solubility. We believe that<br/><br>
the phase diagram of In-Sb nano-alloys is useful for an increased understanding of the growth<br/><br>
parameters and mechanisms of InSb nanostructures.},
  author       = {Ghasemi, Masoomeh and Zanolli, Zeila and Stankovski, Martin and Johansson, Jonas},
  issn         = {2040-3372},
  keyword      = {Thermodynamic modelling,CALPHAD,Density Functional Theory,Size-dependent phase diagram,In-Sb},
  language     = {eng},
  number       = {41},
  pages        = {17387--17396},
  publisher    = {Royal Society of Chemistry},
  series       = {Nanoscale},
  title        = {Size- and shape-dependent phase diagram of In-Sb nano-alloys},
  url          = {http://dx.doi.org/10.1039/c5nr04014k},
  volume       = {7},
  year         = {2015},
}