Ab initio Calculation of Valence-band Offsets for Lattice-matched Heterojunctions

<正> In the light of our previous result that the average bond energy Eh valuelines up across heterojunction interfaces,in this paper,the valence-band offsets in ten hete-rojunctions have been calculated using the Eh as a reference level with the LMTO-ASAband-structure method.The calculated results are in excellent agreement with those fromthe more elaborate first-principles self-consistent interface calculations.As the presentmethod requires by far the smaller computational effort,it is very convenient for usingon medium-sized computers.