화학공학소재연구정보센터
Journal of Crystal Growth, Vol.468, 557-561, 2017
Chemical beam epitaxy of GaAs1-xNx using MMHy and DMHy precursors, modeled by ab initio study of GaAs(100) surfaces stability over As-2, H-2 and N-2
Using ab initio calculations, a simple model for GaAs1-xNx vapor-phase epitaxy on (100) surface of GaAs was created. By studying As-2 and H-2 molecules adsorptions and As/N atom substitutions on (100) GaAs surfaces, we obtain a relative stability diagram of all stable surfaces under varying As-2, H-2, and N-2 conditions. We previously proved that this model could describe the vapor-phase epitaxy of GaAs1-x N-x with simple, fully decomposed, precursors. In this paper, we show that in more complex reaction conditions using monomethylhydrazine (MMHy), and dimethylhydrazine (DMHy), it is still possible to use our model to obtain an accurate description of the temperature and pressure stability domains for each surfaces, linked to chemical beam epitaxy (CBE) growth conditions. Moreover, the different N-incorporation regimes observed experimentally at different temperature can be explain and predict by our model. The use of MMHy and DMHy precursors can also be rationalized. Our model should then help to better understand the conditions needed to obtain an high quality GaAs1-xNx using vapor-phase epitaxy.