We propose accurate electrical characterization technique of material parameters for heterostructures using inverse simulation of capacitance-voltage (C-V) characteristics. In order to take account of the quantum effect existing at the heterointerface, both the Poisson and Schrodinger equations are solved self-consistently. The theoretical and measured C-V characteristics are fit directly with the aid of C-V characteristics simulation, and then the physical parameters such as the position of the heterosurface, band-offset, and impurity doping concentration are determined (the inverse C-V simulation). As a test sample, molecular beam epitaxy frown AlGaAs/GaAs Schottky diodes are used to verify the validity of the method.