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Using the four-probe method, we investigate the electrical conductivity of Cu3N under high pressure with the diamond anvil cell. Cu3N is a semiconductor at ambient pressure showing a band gap about l eV. With the application of quasi-hydrostatic pressures, its resistance decreases dramatically over five orders of magnitude from ambient to 9 GPa. The compound became a metal at pressure about 5.5 GPa, which is in well agreement with the recent first principle calculation. 相似文献
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Theoretical investigation of structural and optical properties of semi-fluorinated bilayer graphene 下载免费PDF全文
We have studied the structural and optical properties of semi-fluorinated bilayer graphene using density functional theory. When the interlayer distance is 1.62 , the two graphene layers in AA stacking can form strong chemical bonds.Under an in-plane stress of 6.8 GPa, this semi-fluorinated bilayer graphene becomes the energy minimum. Our calculations indicate that the semi-fluorinated bilayer graphene with the AA stacking sequence and rectangular fluorinated configuration is a nonmagnetic semiconductor(direct gap of 3.46 e V). The electronic behavior at the vicinity of the Fermi level is mainly contributed by the p electrons of carbon atoms forming C=C double bonds. We compare the optical properties of the semifluorinated bilayer graphene with those of bilayer graphene stacked in the AA sequence and find that the semi-fluorinated bilayer graphene is anisotropic for the polarization vector on the basal plane of graphene and a red shift occurs in the [010]polarization, which makes the peak at the low-frequency region located within visible light. This investigation is useful to design polarization-dependence optoelectronic devices. 相似文献
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In situ high-pressure energy dispersive x-ray diffraction experiments on polycrystalline powder TiN with NaCltype structure have been conducted with the pressure up to 30.1 GPa by using a diamond anvil cell instrument with synchrotron radiation at room temperature. The experimental results suggest that an isostructural phase transition might exist at about 7 GPa as revealed by the discontinuity of V/Vo with pressure. 相似文献
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