Bond Engineering in Surface Structure and Nano-Structure Formation for Lattice Mismatch Systems

采用基于从头算的方法，结合光束等效压力和温度，系统地研究了InAs/GaAs等晶格失配系统中的表面结构。在生长条件下，In和As在InAs（111）和InAs（001）湿润层的稳定表面上的吸附-解吸行为也得到了澄清。利用这些结果，讨论了在GaAs衬底上生长的InAs（111）上的层错四面体和InAs（001）上的量子点纳米结构形成的基本过程。

Surface structures in lattice mismatch system such as InAs/GaAs are systematically investigated using our ab initio-based approach incorporating beam equivalent pressure and temperature. Adsorption-desorption behaviors of In and As are also clarified on the stable surfaces of InAs(111) and InAs(001) wetting layers under growth conditions. Using these results, elementary processes of nano-structure formation are discussed for stacking fault tetrahedron on InAs(111) and quantum dot on InAs(001) grown on GaAs substrate.