采用离子束溅射法制备了钙钛矿型复合氧化物La0.5Sr0.5CoO3(LSCO) 薄膜,测试了La0.5Sr0.5CoO3(LSCO) 薄膜的拉曼光谱,采用Gaussian 03W量子化学软件从头计算了这种晶体的拉曼光谱.实验和计算均表明,钙钛矿晶体LSCO的基本结构单元为钴氧八面体,钴氧八面体的振动频率与其振动模式密切相关;并给出了拉曼谱峰的振动频率与振动方式之间的对应关系;通过改变Co-O键长值,对CoO6八面体振动方式和频率进行计算拟合,研究了热处理温度和衬底对晶胞化学键长度变化的影响.
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