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

Forskningsoutput: Tidskriftsbidrag › Artikel i vetenskaplig tidskrift › Peer review

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Sammanfattning

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.

Originalspråk	engelska
Sidor (från-till)	95-102
Tidskrift	Journal of Alloys and Compounds
Volym	638
DOI	https://doi.org/10.1016/j.jallcom.2015.03.051
Status	Published - 2015

Ämnesklassifikation (UKÄ)

Den kondenserade materiens fysik (Här ingår: Materialfysik, nanofysik)

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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. (Forskarstuderande) & Johansson, J. (Handledare)
2012/09/01 → 2017/08/31
Projekt: Avhandling

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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.",

keywords = "Phase diagrams, CALPHAD, Thermodynamic modeling",

author = "Masoomeh Ghasemi and Jonas Johansson",

year = "2015",

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

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pages = "95--102",

journal = "Journal of Alloys and Compounds",

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AU - Ghasemi, Masoomeh

AU - Johansson, Jonas

PY - 2015

Y1 - 2015

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

Sammanfattning

Ämnesklassifikation (UKÄ)

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Projekt

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

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