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    Cohesion of BaReH9_9 and BaMnH9_9: Density Functional Calculations and Prediction of (MnH9)2_9)^{2-} Salts

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    Density functional calculations are used to calculate the structural and electronic properties of BaReH9_9 and to analyze the bonding in this compound. The high coordination in BaReH9_9 is due to bonding between Re 5dd states and states of dd-like symmetry formed from combinations of H ss orbitals in the H9_9 cage. This explains the structure of the material, its short bond lengths and other physical properties, such as the high band gap. We compare with results for hypothetical BaMnH9_9, which we find to have similar bonding and cohesion to the Re compound. This suggests that it may be possible to synthesize (MnH9)2_9)^{2-} salts. Depending on the particular cation, such salts may have exceptionally high hydrogen contents, in excess of 10 weight

    Weighted Density Approximation Description of Insulating YH3_3 and LaH3_3

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    Density functional calculations within the weighted density approximation (WDA) are presented for YH3_3 and LaH3_3. We investigate some commonly used pair-distribution functions G. These calculations show that within a consistent density functional framework a substantial insulating gap can be obtained while at the same time retaining structural properties in accord with experimental data. Our WDA band structures agree with those of GWGW approximation very well, but the calculated band gaps are still 1.0-2.0 eV smaller than experimental findings.Comment: 6 Pages, 3 figure

    HI gas in rejuvenated radio galaxies: GMRT observations of the DDRG J1247+6723

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    We report the detection of HI absorption towards the inner double of the double-double radio galaxy (DDRG) J1247+6723 with the Giant Metrewave Radio Telescope (GMRT). The inner double is a Giga-hertz peaked spectrum (GPS) source with a linear size of 14 pc while the overall size defined by the outer double is 1195 kpc, making it a giant radio source. The absorption profile is well resolved and consists of a number of components on either side of the optical systemic velocity. The neutral hydrogen column density is estimated to be N(HI)=6.73*10^{20}(T_s/100)(f_c/1.0) cm^{-2}, where T_s and f_c are the spin temperature and covering factor of the background source respectively. We explore any correlation between the occurrence of HI absorption and rejuvenation of radio activity and suggest that there could be a strong relationship between them.Comment: 5 pages, 2 figures, accepted for publication in MNRAS Letter
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