中文摘要：

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化舍物生成的影响。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Ba3鼠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。

英文摘要：

Ba layer is deposited on Si（111）substrate by magnetron sputtering. The influence of annealing temperature on the growth of Ba-Si compounds is studied. The peaks of 13a3Si4 （202） and Ba3Si4 （221） are found after annealing at vacuum for 12h according to XRD patterns, and present preferred orientation. The feasible annealing temperatures is 700℃. The band structure and density of states of Ba3Si4 are calculated using the first-principle. Results show that Ba3 Si4 is a metal, the valence bands of Ba3Si4 are mainly composed of Si 3p, 3s and Ba 5d, 6s, and the conduction bands are mainly composed of Ba 5d as well as Si 3p.