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z切LiTaO3单晶的冲击相变研究

李 俊 周显明 李加波 李赛男 祝文军 王 翔 经福谦

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z切LiTaO3单晶的冲击相变研究

李 俊, 周显明, 李加波, 李赛男, 祝文军, 王 翔, 经福谦

Shock-induced phase transition of z-cut lithium tantalate single crystal

Li Jun, Zhou Xian-Ming, Li Jia-Bo, Li Sai-Nan, Zhu Wen-Jun, Wang Xiang, Jing Fu-Qian
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  • 利用二级轻气炮加载下的冲击Hugoniot线(冲击波速度D-粒子速度u关系)和粒子速度剖面测量,结合基于密度泛函理论的平面波赝势计算研究了z切LiTaO3单晶的高压相变.实验发现,D-u关系在u=0.95km/s附近出现明显拐折;实测波剖面中25.9 GPa和32.6 GPa时观测到弹-塑性双波结构,而终态压力为42.7 GPa和53.0 GPa时则为三波结构.上述结果都清楚地表明z切LiTaO3单晶冲击相变的发生,相变起始压力约为37.9 GPa.同时,理论计算的菱形相(R3c对称群)压缩线与低压实验数据符合较好,而正交相(Pbnm对称群)压缩线则与扣除热压贡献的高压实验数据相符,由此推断z-切LiTaO3的高压相为正交结构.从实验和理论上澄清了z切LiTaO3的相变起始压力和高压相晶体结构的认识,研究工作亦对类似单晶材料的冲击相变研究有参考价值.
    High-pressure phase-transition behaviors of z-cut lithium tantalate single-crystal have been studied by Hugoniot measurements at our two-stage light-gas gun and DFT-PWP calculations. A distinct discontinuity was discovered on the D-u (shock-wave velocity versus particle velocity) relation. An elastic-plastic two-wave structure was observed from the VISAR measured particle velocity profiles at low pressures (25.9 GPa and 32.6 GPa), while three-wave structure appeared in the measured particle velocity profiles at the final pressure of 42.9 GPa and 53.0 GPa. Both facts indicate a shock-induced phase transition of LiTaO3 samples occurred with an onset pressure of 37.9GPa. The theoretically calculated 0K pressure versus compression ratio (P-V/V0) curve for the rhombohedral phase (R3c space group) is in good agreement with the low-pressure experimental data, while that for orthorhombic phase (Pbnm space group) is in accord with the results by deducing thermal pressure contribution from the measured shock-compression data at high pressures. This suggests that the high-pressure phase has orthorhombic symmetry. High-pressure phase transformation behaviors including the transition pressure and structures, which are unclear in current literature, have been clarified in this paper by our new shock-wave data and ab-initio calculations. These behaviors were demonstrated to be in close similarity with that of its isomorphous crystal LiNbO3. The present work is significant for the investigations of shock-induced phase-transition of similar single-crystal materials.
    • 基金项目: 中国工程物理研究院科学技术基金(批准号:20050102)资助的课题.
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出版历程
  • 收稿日期:  2006-11-02
  • 修回日期:  2007-06-29
  • 刊出日期:  2007-11-20

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