【摘 要】
：
在室温条件下,利用金刚石对顶砧高压技术和第一性原理,对叠氮化钠进行了原位高压拉曼光谱研究,采用红宝石荧光压标测压,实验的最高压力为37.7 GPa.实验压力范围内拉曼光谱随
【机 构】
：
内蒙古交通职业技术学院,赤峰024000;吉林大学,超硬材料国家重点实验室,长春130021
论文部分内容阅读
在室温条件下,利用金刚石对顶砧高压技术和第一性原理,对叠氮化钠进行了原位高压拉曼光谱研究,采用红宝石荧光压标测压,实验的最高压力为37.7 GPa.实验压力范围内拉曼光谱随压力增加发生了丰富的变化.由于多处拉曼峰的出现和消失并伴随频移有拐点,我们判断叠氮化钠在0～0.4GPa时发生了第一次结构相变,在相变过程中叠氮根的天平振动模式(Eg)出现了振动模式分裂为Ag和Bg,并且伴随着叠氮根离子之间的电荷转移.随着压力继续增加,在14.1 GPa和27.3 GPa分别发生了第二次和第三次结构相变.压致相变的路径为β-NaN3→α-NaN3→γ-NaN3→δ-NaN3.我们的拉曼散射研究,证实了此前的XRD研究.
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