采用磁控溅射法在Si(111)衬底上沉积了Ba单层膜,研究了退火温度对Ba-Si化合物生成的影响.X射线衍射表明,在真空中退火12h后出现了Ba3Si4(202)和Ba3Si4(221)衍射峰,表现出择优取向,700℃是理想的退火温度.采用第一性原理对Ba3Si4的能带结构和态密度进行了计算,结果表明它是一种金属,价带主要是由Si的3s、3p及Ba的5p、6s态电子构成,导带主要由Ba的5d及Si的3p态电子构成.
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