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Using the plane-wave pesudopotential (PWPP) method within the generalized gradient approximation (GGA'), we investigate the hydrostatic pressure induced effect on the structural, electronic and elastic properties of cubic perovskites SrSn03 and SrZr03. The pressure dependence of the lattice constants, some indirect and direct band gaps, the upper valence bandwidths, the elastic stiffness constants and the aggregate elastic moduli, as well as the Debye temperature are investigated. Our calculated ground-state results are in good agreement with the available experimental and theoretical data.  相似文献   
2.
The structural stability and elastic properties of wurtzite thallium nitride (TIN) under hydrostatic pressure are studied for the first time by first-principles calculations. The enthalpy calculations predict that TIN undergoes a phase transition from the wurtzite structure to the rocksalt structure at 19.2 GPa with a volume collapse of 13.0%. Our calculated results also show that this nitride is ductile in nature and exhibits high elastic anisotropy. Our ground-state results are in good agreement with the data of other theoretical calculations.  相似文献   
3.
Phase transition and band structure of Cu2O are systematically investigated by using the HSE06 range-separated hybrid functional. Cubic Cu2O under pressure transforms to the metastable hexagonal phase. Our further investigations reveal that the first-order phase transition is driven by the elastic and dynamical instabilities. Furthermore, the stable band gap of cubic phase is always direct and greatly enhanced by pressure, whereas the hexagonal phase shows the semi-metallic band structure.  相似文献   
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针对压电陶瓷的压电系数实验测量中仪器调节的困难,通过放置一个三面箱体辅助仪器来改善对光路的调节,同时在给压电陶瓷施加电压的电路中接入电压报警器,有效控制施加在压电陶瓷上的电压大小,以此避免压电陶瓷的疲劳受损乃至被烧坏。  相似文献   
5.
使用稀土元素Tb作催化剂, 通过氨化溅射在Si(111)衬底上的Ga2O3/Tb薄膜, 成功制备出GaN纳米棒. X射线衍射测试显示, GaN纳米棒具有六方结构. 利用扫描电子显微镜和高分辨透射电子显微镜观察分析得出, 纳米棒为单晶GaN, 纳米棒的直径为50-150 nm, 长度约10 μm. 光致发光谱在368.6 nm处有一强的紫外发光峰, 说明纳米棒具有良好的发光特性. 讨论了GaN纳米棒的生长机制.  相似文献   
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A mass of GaN nanowires has been successfully synthesized on Si(111) substrates by magnetron sputtering through ammoniating Ga2O3/Co films at 950℃. X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscope and Fourier transformed infrared spectra are used to characterize the samples. The results demonstrate that the nanowires are of single-crystal GaN with a hexagonal wurtzite structure and possess relatively smooth surfaces. The growth mechanism of GaN nanowires is also discussed.  相似文献   
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通过理论分析证明复摆实验装置中摆杆和摆杆座质量对实验的影响,指出在摆杆和摆杆座的质量不能忽略的情况下,由摆杆、摆杆座和摆锤组成的刚体并非固定刚体。针对现有的刚体系统重新设计实验方案,推导出利用该装置测量重力加速度的理论公式,实验结果证明该方案切实可行。  相似文献   
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在高等教育普及化和“新工科”的大背景下,中国矿业大学基础物理实验课程在经典物理实验项目的基础上,引入了虚拟仿真实验、居家物理实验、物理探究式实验项目来实现了多样化的实验教学内容,并针对特定实验项目开展教学模式改革探索,同时实现了教学模式的多样化。满足了不同类型学生的多样化的实验课程需求。  相似文献   
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