## Abstract

Nearest- and higher-neighbor distances as well as bond length distributions (static and thermal) of the In_{x} Ga_{1 − x} As (0 < ∼ x < ∼ 1) semiconductor alloys have been obtained from high-real-space resolution atomic pair distribution functions. Using this structural information, we modeled the local atomic displacements in In_{x} Ga_{1 − x} As alloys. From a supercell model based on the Kirkwood potential, we obtained three-dimensional As and (In, Ga) ensemble average probability distributions. These clearly show that As atom displacements are highly directional and can be represented as a combination of ⟨ 100 ⟩ and ⟨ 111 ⟩ displacements. Examination of the Kirkwood model indicates that the standard deviation (σ) of the static disorder on the (In, Ga) sublattice is around 60% of the value on the As sublattice and the (In, Ga) atomic displacements are much more isotropic than those on the As sublattice. The single-crystal diffuse scattering calculated from the Kirkwood model shows that atomic displacements are most strongly correlated along ⟨ 110 ⟩ directions.

Original language | English |
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Journal | Physical Review B - Condensed Matter and Materials Physics |

Volume | 63 |

Issue number | 20 |

DOIs | |

State | Published - Apr 9 2001 |

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