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A Pseudopotential Approach to the Structural and Thermodynamical Properties of III–V Ternary Semiconductor Alloys
Author(s) -
Ito T.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221290213
Subject(s) - pseudopotential , ternary operation , materials science , semiconductor , phase diagram , lattice (music) , thermodynamics , condensed matter physics , phase (matter) , physics , optoelectronics , quantum mechanics , computer science , acoustics , programming language
The structural and thermodynamical properties of III–V ternary semiconductor alloys (AlGaAs, AlGaSb, AlInAs, AlInSb, GaInAs, and GaInSb) are investigated using a pseudopotential perturbation treatment. A simple calculation method is proposed to estimate the disorder contribution to the total crystal energy of III–V ternary semiconductor alloys. The calculated results of compositional lattice parameter are in good agreement with the previously reported experimental data. Phase diagram calculations of III–V pseudobinary systems are also successfully achieved.