A Density functional theory method within generalized gradient approximation has been performed to obtain the static lattice parameters,oxygen positional parameter,bond length and bond angle and electronic properties of ideal Lu_2Sn_2O_7 pyrochlore.The results are in excellent agreement with available experimental measurements.Density of states (DOS) of this compound was presented and analysed.We also notice the presence of the hybridization between oxygen and Lu metal.The band structure calculations show that the compound has direct band gap of 2.67 eV at the Γ point in the Brillouin zone and this indicates that the material has a semi-conducting feature.
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机译:A Study of Substitution the Element of (La+3) on the Structural and Electrical Properties of the Compound Ferrite (垂势沁.汾没揃抽沁.汾没杉制沁.没遂椙栖水裾汾竏挺摄?锤汳)
机译:利用扫描穿隧显微镜探讨在硒化铟上未氧化表面和氧化表面之介面接合处的电子特性 =Scanning Tunneling Microscope study of InSe Surface Electronic Properties at the Fresh/Oxided Interface Junction