In the light of our previous result that the average bond energy E_h valuelines up across heterojunction interfaces,in this paper,the valence-band offsets in ten hete-rojunctions have been calculated using the E_h as ...In the light of our previous result that the average bond energy E_h valuelines up across heterojunction interfaces,in this paper,the valence-band offsets in ten hete-rojunctions have been calculated using the E_h 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.展开更多
基金Project supported by the National Natural Science Foundation of China.
文摘In the light of our previous result that the average bond energy E_h valuelines up across heterojunction interfaces,in this paper,the valence-band offsets in ten hete-rojunctions have been calculated using the E_h 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.
