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LIU Hai-ping, ZENG Xiang-hua#, HU Yong-jin, ZHANG Xuan. Study on Structure Phase Transition of Vanadium under High Pressure[J]. Nuclear Physics Review, 2009, 26(1): 59-63. DOI: 10.11804/NuclPhysRev.26.01.059
Citation: LIU Hai-ping, ZENG Xiang-hua#, HU Yong-jin, ZHANG Xuan. Study on Structure Phase Transition of Vanadium under High Pressure[J]. Nuclear Physics Review, 2009, 26(1): 59-63. DOI: 10.11804/NuclPhysRev.26.01.059
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Study on Structure Phase Transition of Vanadium under High Pressure

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  • We have studied the structure phase transition of Vanadium under high pressures by density function theory. A mechanical instability in the shear elastic constant (C44) has been found for bodycentred cubic(bcc) Vanadium at about 95 GPa, which indicates the existence of the structural transition. By calculation and analysis, we found that there was a bccrhombohedral structure transition at the 70 GPa, which is consistent with the experiment data. Our calculations also firstly gave that there was a rhombohedralbcc structure transition at about 380 GPa, which needs to be verified by the experiment.
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