反应沉积外延制备Ba_5Si_3及其电子结构研究

Study on Preparation by Reactive Deposition Epitaxy and the Electronic Structure of Ba_5Si_3

采用反应沉积外延法在723K的Si(111)衬底上共沉积了的Ba/Si混合膜,通过时间控制得到不同厚度的混合膜,然后真空退火处理。X射线衍射表明在真空中1073K退火12小时后出现了单一的Ba5Si3薄膜。采用第一性原理对Ba5Si3的能带结构进行了计算,带隙宽度为0 e V,表现为金属性质。

Ba and Si were codeposited on Si （111 ）substrate at 723K by reactive deposition epitaxy（ RDE）, the thickness of film can be controlled by deposition time. then annealed in the vacuum. BasSi3 appears after annealing at 1073K for 12 hours according to X- Ray Diffraction （XRD）patterns. The band structure of Bas Si3 have been calculated using the first -principle. The energy gap of BasSi3 is 0 eV , it shows properties of metals.