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

Density functional calculations are used to calculate the structural and electronic properties of BaReH$_9$ and to analyze the bonding in this compound. The high coordination in BaReH$_9$ is due to bonding between Re 5$d$ states and states of $d$-like symmetry formed from combinations of H $s$ orbitals in the H$_9$ 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 BaMnH$_9$, which we find to have similar bonding and cohesion to the Re compound. This suggests that it may be possible to synthesize (MnH$_9)^{2-}$ 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

Density functional calculations within the weighted density approximation (WDA) are presented for YH$_3$ and LaH$_3$. 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 $GW$ approximation very well, but the calculated band gaps are still 1.0-2.0 eV smaller than experimental findings.Comment: 6 Pages, 3 figure

Broadband optical radiation detector

A method and apparatus for detecting optical radiation by optically monitoring temperature changes in a microvolume caused by absorption of the optical radiation to be detected is described. More specifically, a thermal lens forming material is provided which has first and second opposite, substantially parallel surfaces. A reflective coating is formed on the first surface, and a radiation absorbing coating is formed on the reflective coating. Chopped, incoming optical radiation to be detected is directed to irradiate a small portion of the radiation absorbing coating. Heat generated in this small area is conducted to the lens forming material through the reflective coating, thereby raising the temperature of a small portion of the lens forming material and causing a thermal lens to be formed therein

Double-beam optical method and apparatus for measuring thermal diffusivity and other molecular dynamic processes in utilizing the transient thermal lens effect

A sample material was irradiated by relatively high power, short pulses from a dye laser. Energy from the pulses was absorbed by the sample material, thereby forming a thermal lens in the area of absorption. The pulse repetition rate was chosen so that the thermal lens is substantially dissipated by the time the next pulse reaches the sample material. A probe light beam, which in a specific embodiment is a relatively low power, continuous wave (cw) laser beam, irradiated the thermal lens formed in the sample material. The intensity characteristics of the probe light beam subsequent to irradiation of the thermal lens is related to changes in the refractive index of the sample material as the thermal lens is formed and dissipated

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

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

Formation of iron nitride thin films with Al and Ti additives

In this work we investigate the process of iron nitride (Fe-N) phase formation using 2 at.% Al or 2 at.% Ti as additives. The samples were prepared with a magnetron sputtering technique using different amount of nitrogen during the deposition process. The nitrogen partial pressure (\pn) was varied between 0-50% (rest Argon) and the targets of pure Fe, [Fe+Ti] and [Fe+Al] were sputtered. The addition of small amount of Ti or Al results in improved soft-magnetic properties when sputtered using \pn $\leq$ 10\p. When \pn is increased to 50\p non-magnetic Fe-N phases are formed. We found that iron mononitride (FeN) phases (N at% $\sim$50) are formed with Al or Ti addition at \pn =50% whereas in absence of such addition \eFeN phases (N\pat$\sim$30) are formed. It was found that the overall nitrogen content can be increased significantly with Al or Ti additions. On the basis of obtained result we propose a mechanism describing formation of Fe-N phases Al and Ti additives.Comment: 9 Pages, 7 Figure