Nonempirical calculation of ill–v ternary semiconductor phase diagrams

Tetsuo Mohri; Kiyoshi Koyanagi; Tetsuo Mohri; Katsuya Watanabe

doi:10.1143/JJAP.28.1312

Nonempirical calculation of ill–v ternary semiconductor phase diagrams

Tetsuo Mohri, Kiyoshi Koyanagi, Tetsuo Mohri, Katsuya Watanabe

Institute for Materials Research (IMR)

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

Abstract

Nonempirical calculation of a phase diagram for the III-V ternary semiconductor is attempted. The atomic interaction energies are obtained based on the results of pseudopotential perturbation calculation, while the entropy term is evaluated by the tetrahedron approximation of the cluster variation method. Phase diagrams of pseudobinary GaSb–In–Sb and GaP–LnP are obtained, and both are characterized as the phase separation type. The origin of the asymmetry of the solubility line is discussed.

Original language	English
Pages (from-to)	1312-1319
Number of pages	8
Journal	Japanese journal of applied physics
Volume	28
Issue number	8R
DOIs	https://doi.org/10.1143/JJAP.28.1312
Publication status	Published - 1989 Aug 1

Keywords

Cluster expansion pro-cedure
Cluster variation method
Lll-V ternary semiconductor
Phase diagram
Pseudopotential perturbation calculation

ASJC Scopus subject areas

Engineering(all)
Physics and Astronomy(all)

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keywords = "Cluster expansion pro-cedure, Cluster variation method, Lll-V ternary semiconductor, Phase diagram, Pseudopotential perturbation calculation",

author = "Tetsuo Mohri and Kiyoshi Koyanagi and Tetsuo Mohri and Katsuya Watanabe",

year = "1989",

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T1 - Nonempirical calculation of ill–v ternary semiconductor phase diagrams

AU - Mohri, Tetsuo

AU - Koyanagi, Kiyoshi

AU - Mohri, Tetsuo

AU - Watanabe, Katsuya

PY - 1989/8/1

Y1 - 1989/8/1

N2 - Nonempirical calculation of a phase diagram for the III-V ternary semiconductor is attempted. The atomic interaction energies are obtained based on the results of pseudopotential perturbation calculation, while the entropy term is evaluated by the tetrahedron approximation of the cluster variation method. Phase diagrams of pseudobinary GaSb–In–Sb and GaP–LnP are obtained, and both are characterized as the phase separation type. The origin of the asymmetry of the solubility line is discussed.

AB - Nonempirical calculation of a phase diagram for the III-V ternary semiconductor is attempted. The atomic interaction energies are obtained based on the results of pseudopotential perturbation calculation, while the entropy term is evaluated by the tetrahedron approximation of the cluster variation method. Phase diagrams of pseudobinary GaSb–In–Sb and GaP–LnP are obtained, and both are characterized as the phase separation type. The origin of the asymmetry of the solubility line is discussed.

KW - Cluster expansion pro-cedure

KW - Cluster variation method

KW - Lll-V ternary semiconductor

KW - Phase diagram

KW - Pseudopotential perturbation calculation

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JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes

JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes

SN - 0021-4922

IS - 8R

ER -

Nonempirical calculation of ill–v ternary semiconductor phase diagrams

Abstract

Keywords

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