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:
https://lup.lub.lu.se/record/8081974
- author
- Ghasemi, Masoomeh
LU
; Zanolli, Zeila
; Stankovski, Martin
LU
and Johansson, Jonas
LU
- organization
- publishing date
- 2015
- 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
- 10 pages
- publisher
- Royal Society of Chemistry
- external identifiers
-
- pmid:26440811
- wos:000363181600027
- scopus:84945157586
- pmid:26440811
- ISSN
- 2040-3372
- DOI
- 10.1039/c5nr04014k
- project
- Thermodynamic modeling of materials systems for nanowires: CALPHAD, DFT and experiments
- language
- English
- LU publication?
- yes
- id
- 9961bf88-cd27-4c8c-8543-ceacd3972d5d (old id 8081974)
- date added to LUP
- 2016-04-01 10:45:33
- date last changed
- 2023-11-10 04:52:18
@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}},
keywords = {{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 = {{https://lup.lub.lu.se/search/files/2110395/8081981.pdf}},
doi = {{10.1039/c5nr04014k}},
volume = {{7}},
year = {{2015}},
}