Thermodynamic Assessment of the As-Zn and As-Ga-Zn Systems

Masoomeh Ghasemi; Jonas Johansson

doi:10.1016/j.jallcom.2015.03.051

Thermodynamic Assessment of the As-Zn and As-Ga-Zn Systems

Masoomeh Ghasemi, Jonas Johansson

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Abstract

We have performed a thermodynamic assessment of the As-Zn and As-Ga-Zn systems. The systems are assessed based on the
CALPHAD method and using available first principles and experimental data. Using the optimized set of parameters found in this
work, the calculated As-Zn binary phase diagram, isoplethal sections and the monovariants lines of the As-Ga-Zn ternary system
are presented. The comparison of the calculated diagrams with the experimental and first principles data shows good agreement.

Original language	English
Pages (from-to)	95-102
Journal	Journal of Alloys and Compounds
Volume	638
DOIs	https://doi.org/10.1016/j.jallcom.2015.03.051
Publication status	Published - 2015

Subject classification (UKÄ)

Condensed Matter Physics (including Material Physics, Nano Physics)

Free keywords

Phase diagrams
CALPHAD
Thermodynamic modeling

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10.1016/j.jallcom.2015.03.051

As-Ga-Zn-manuscript

Thermodynamic modeling of materials systems for nanowires: CALPHAD, DFT and experiments
Ghasemi, M. (Research student) & Johansson, J. (Supervisor)
2012/09/01 → 2017/08/31
Project: Dissertation

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title = "Thermodynamic Assessment of the As-Zn and As-Ga-Zn Systems",

abstract = "We have performed a thermodynamic assessment of the As-Zn and As-Ga-Zn systems. The systems are assessed based on the CALPHAD method and using available first principles and experimental data. Using the optimized set of parameters found in this work, the calculated As-Zn binary phase diagram, isoplethal sections and the monovariants lines of the As-Ga-Zn ternary system are presented. The comparison of the calculated diagrams with the experimental and first principles data shows good agreement.",

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author = "Masoomeh Ghasemi and Jonas Johansson",

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doi = "10.1016/j.jallcom.2015.03.051",

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pages = "95--102",

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AU - Johansson, Jonas

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N2 - We have performed a thermodynamic assessment of the As-Zn and As-Ga-Zn systems. The systems are assessed based on the CALPHAD method and using available first principles and experimental data. Using the optimized set of parameters found in this work, the calculated As-Zn binary phase diagram, isoplethal sections and the monovariants lines of the As-Ga-Zn ternary system are presented. The comparison of the calculated diagrams with the experimental and first principles data shows good agreement.

AB - We have performed a thermodynamic assessment of the As-Zn and As-Ga-Zn systems. The systems are assessed based on the CALPHAD method and using available first principles and experimental data. Using the optimized set of parameters found in this work, the calculated As-Zn binary phase diagram, isoplethal sections and the monovariants lines of the As-Ga-Zn ternary system are presented. The comparison of the calculated diagrams with the experimental and first principles data shows good agreement.

KW - Phase diagrams

KW - CALPHAD

KW - Thermodynamic modeling

U2 - 10.1016/j.jallcom.2015.03.051

DO - 10.1016/j.jallcom.2015.03.051

M3 - Article

SN - 0925-8388

VL - 638

SP - 95

EP - 102

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

ER -

Thermodynamic Assessment of the As-Zn and As-Ga-Zn Systems

Abstract

Subject classification (UKÄ)

Free keywords

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Thermodynamic modeling of materials systems for nanowires: CALPHAD, DFT and experiments

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