The mechanical, structural, electronic and magnetic properties of s-triazine sheet (C 6 N 6 ) with embedded Mn atom (Mn-C 6 N 6 ) is investigated under the influence of external environment using density functional theory. Our results show that Mn-C 6 N 6 system is structurally and mechanically stable. The binding energy of Mn embedded in C 6 N 6 sheet can be modulated under the influence of symmetric deformation and perpendicular electric field respectively. The semiconducting property of pure C 6 N 6 sheet is maintained upon embedment of Mn atom in the porous site. It is also found that small increment in bi-axial tensile strain enhances the band gap (from 0.630 eV at zero strain to 0.802 eV at 5% strain) while the magnetic moment of the embedded Mn atom is preserved. The electronic and magnetic properties of the Mn-C 6 N 6 systems are maintained up to 10 V/nm in electric field strength. We also explore the geometries, electronic and magnetic properties of Mn-C 6 N 6 with adsorbed atoms and molecules. The Mn-C 6 N 6 with adsorbed O atom and O 2 molecule systems shows half-metallic character whereas the remaining systems preserve their semiconducting property. The total magnetic moment 1 arXiv:1703.06466v1 [cond-mat.mtrl-sci] per unit cell in most of the systems is found to reduce as compared to that of the Mn-C 6 N 6 sheet. The reduction in magnetic moment can be related to the strong interactions among the Mn atom and the surrounding atoms which lead to the formation of low-spin configurations. Overall, our results indicate that the Mn-C 6 N 6 systems with and without adsorbed atoms and molecules can serve as potential candidates for future spintronics and catalysis applications.2

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An approach based on the idea that the spinning nucleus being stretched out along the symmetry axis under the influence of some of centrifugal force has been proposed. The stretching in this work is treated within the framework of quantum mechanics rather than classical mechanics which had been used by Diamond Stephens and Swiatecki. Our approach led to a new formula that describes the dependence of the moment of inertia on the angular momentum. This formula is applied for the calculation of rotational ground state bands of eveneven nuclei in the atomic mass range 150  A 190 and that having energy ratios in the range between 4 2 2.9  E / E  3.33 . The results show an overall agreement with the experimental data up to high level energies. There are a small and systematic deviation appears at 12 I  . This deviation increases with the increasing in I and also differs from one nucleus to another.

Polarized infrared (IR) reflectance measurement was carried out to investigate the optical phonon modes of wurtzite structure In0.92Ga0.08N thin film grown by molecular beam epitaxy. Composition dependence of IR reststrahlen features was observed. Theoretical polarized IR reflectance spectrum was simulated using the standard multilayer optics technique with a multi-oscillator dielectric function model. By obtaining the best fit of experimental and theoretical spectrum, the Brillouin zone center E1 optical phonon modes together with the dielectric constant, layer thickness, free carriers concentration and mobility were extracted non-destructively. The extracted E1 optical phonon modes were compared with those generated from modified random element isodisplacement (MREI) model.