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Charge transfer in the bonding of gaas
Author(s) -
Chandrasekaran K. S.,
Mohanlal S. K.,
Saravanan R.
Publication year - 1996
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.2221960102
Subject(s) - charge (physics) , transfer (computing) , reciprocal lattice , anharmonicity , scattering , diffraction , chemistry , atomic physics , crystallography , physics , molecular physics , condensed matter physics , quantum mechanics , parallel computing , computer science
Charge transfer in GaAs is analysed utilising our earlier precise and extensive X‐ray diffraction data. The h + k + l = 4n+ 2 structure factors are weak, “quasi‐forbidden” with the constituent atoms of nearly equal but opposite scattering. The measured structure factors are all systematically larger than their calculated values over the entire range of sin θ/λ up to about 10 nm −1 . Moreover, they exhibit non‐equivalence of inversereflections with non‐zero indices which can arise only from bonding distortion or anharmonicity. A model calculation for the charge transfer inbonding from the III to the V atom, described by a single parameter x, valid over the entire reciprocal space, is proposed and found to yield a precise estimate for x, namely 0.52(0.12) for GaAs (in electron units). This result is in good agreement with the earlier models, and indicates an appreciable core contribution to the charge transfer.