Bond lengths around isovalent impurities and in semiconductor solid solutions
作者： José Luís Martins , Alex Zunger
关键词: Atomic physics 、 Impurity 、 Lattice (order) 、 Bond length 、 Semiconductor alloys 、 Semiconductor 、 Solid solution 、 Valence force field 、 Materials science 、 Extended X-ray absorption fine structure
摘要: Using a valence force field, we predict the symmetric lattice distortions around isovalent impurities in 64 semiconductor-impurity systems. For five systems for which extended x-ray absorption fine-structure (EXAFS) data are available, results excellent agreement with experiment. Our theory also explains quantitatively, without adjustable parameters, observed bond-length variations solid solutions ${A}_{1\ensuremath{-}x}{B}_{x}C$ of semiconductor alloys, as well their excess enthalpies mixing.
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