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

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Size- and shape-dependent phase diagram of In-Sb nano-alloys. / Ghasemi, Masoomeh; Zanolli, Zeila; Stankovski, Martin; Johansson, Jonas.

I: Nanoscale, Vol. 7, Nr. 41, 2015, s. 17387-17396.

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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Ghasemi, Masoomeh ; Zanolli, Zeila ; Stankovski, Martin ; Johansson, Jonas. / Size- and shape-dependent phase diagram of In-Sb nano-alloys. I: Nanoscale. 2015 ; Vol. 7, Nr. 41. s. 17387-17396.

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TY - JOUR

T1 - Size- and shape-dependent phase diagram of In-Sb nano-alloys

AU - Ghasemi, Masoomeh

AU - Zanolli, Zeila

AU - Stankovski, Martin

AU - Johansson, Jonas

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

KW - Thermodynamic modelling

KW - CALPHAD

KW - Density Functional Theory

KW - Size-dependent phase diagram

KW - In-Sb

U2 - 10.1039/c5nr04014k

DO - 10.1039/c5nr04014k

M3 - Article

VL - 7

SP - 17387

EP - 17396

JO - Nanoscale

JF - Nanoscale

SN - 2040-3372

IS - 41

ER -