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Disorder effects on electronic and optical properties of the ternary Ga x In 1− x P ( x = 0.25, 0.50, and 0.75) alloy
Author(s) -
Kumar S.,
Parashari Satyam S.,
Auluck S.
Publication year - 2009
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.200945016
Subject(s) - ternary operation , ternary alloy , alloy , electronic structure , dielectric , materials science , electronic band structure , band gap , condensed matter physics , electron , symmetry (geometry) , physics , mathematics , quantum mechanics , optoelectronics , metallurgy , geometry , computer science , programming language
We have performed first‐principles calculations for the electronic and optical properties of Ga x In 1− x P alloys for compositions x = 25, 50, and 75%. The effects of Ga composition on the electronic density of states, dielectric functions, and pressure coefficients are discussed in detail using a simple cubic structure and a special quasi‐random structure. Effective masses are calculated along the Γ (000) symmetry point. Overall, the calculated properties are in agreement with the available experimental data. Our calculations show that the direct band gap and the electron effective masses vary nonlinearly with concentration x .