摘要
利用路径积分蒙特卡罗方法 ,研究了压力和温度变化对固氘掺锂体系的影响。结果表明 ,在高压条件下 (0 .9～ 2 .4GPa) ,锂原子掺入固体氘后 ,要占据五个氘分子空位形成稳定结构。温度变化不能改变这一五空位占据。固氘掺锂体系锂原子吸收谱随压力和温度的变化趋势类似于固氢掺锂体系锂原子吸收谱随压力和温度变化的趋势。但在某一固定压力和温度点 ,这两种吸收谱却由于氘分子和氢分子零点振动的不同有着明显的差异。随着温度或压力的增加 。
We employ quantum path-integral Monte Carlo method to investigate the pressure and temperature effects on the system of Li in solid D2. Our results show that under high pressure (0.9-2.4 GPa), when the lithium atom doped into solid D2, it will occupy five-vacancy trapping site. Application of temperature can not change this fact. Pressure and temperature effects on the Li atomic absorption spectrum of Li in solid D2 are similar to the results of Li in solid H2. However, at a given pressure and temperature point, the difference between the two kinds of absorption spectrum is significant. With the increase of pressure or temperature, the difference between the two kinds of absorption spectrum is getting less visible.
出处
《高压物理学报》
EI
CAS
CSCD
北大核心
2003年第2期88-94,共7页
Chinese Journal of High Pressure Physics
基金
国家自然科学基金 (1 0 1 4 4 0 0 4 )
吉林大学青年教师基金
吉林大学创新基金
