Numerical calculations of GaAs/Si interfacial energy based on Ackland's semiempirical four‐parameter model for tetravalent semiconductor have been performed. The calculated interfacial energy varies with Si substrate misorientation, showing minima at angles that correspond to the (011), (133), (112) and (113) planes of Si. These planes are preferable for GaAs heteroepitaxy on Si substrates.
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