Ab initio investigation of photoinduced non-thermal phase transition in β-cristobalite |
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引用本文: | 冯世全,臧华平,王永强,程新路,岳金胜.Ab initio investigation of photoinduced non-thermal phase transition in β-cristobalite[J].中国物理 B,2016,25(1):16701-016701. |
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作者姓名: | 冯世全 臧华平 王永强 程新路 岳金胜 |
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作者单位: | 1. The High Pressure Research Center of Science and Technology, Zhengzhou University of Light Industry, Zhengzhou 450002, China;2. School of Physics and Engineering, Zhengzhou University, Zhengzhou 450002, China;3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;4. Luoyang Sunrui Sprcial Equipment CO., LTD, Luoyang 471003, China |
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基金项目: | Project support by the National Natural Science Foundation of China (Grant Nos. 11374217 and 11547158). |
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摘 要: | Using the linear-response method, we investigate the phonon properties of β-cristobalite crystal under electronic excitation effect. We find that the transverse-acoustic phonon frequency becomes imaginary as the electron temperature is increased, which means that the lattice of β-cristobalite becomes unstable under intense laser irradiation. In addition, for the optic phonon mode, the LO(H)–TO(H) splitting disappears when the electronic temperature reaches a certain value,corresponding to the whole transverse-acoustic phonon branches becoming negative. It means that the electronic excitation destroys the macroscopic electric field of β-cristobalite. Based on the calculated phonon band structures, some thermodynamic properties are calculated as a function of temperature at different electronic temperatures. These investigations provide evidence that non-thermal melting takes place during a femtosecond pulse laser interaction with β-cristobalite.
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收稿时间: | 2015-07-24 |
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