Theoretical spectroscopic studies of the atomic transitions and lifetimes of low-lying states in Ti IV

The astrophysically important electric quadrupole (E2) and magnetic dipole (M1) transitions for the low-lying states of triply ionized titanium (Ti IV) are calculated very accurately using a state-of-art all-order many-body theory called Coupled Cluster (CC) theory in the relativistic frame-work. Different many-body correlations of the CC theory has been estimated by studying the core and valence electron excitations to the unoccupied states. The calculated excitation energies of different states are in very good agreement with the measurements. Also we compare our calculated electric dipole (E1) transition amplitudes of few transitions with recent many-body calculations by different groups. We have also carried out the calculations for the lifetimes of the low-lying states of Ti IV. A long lifetime is found for the first excited 3d$^{2}D_{5/2}$ state, which suggested that Ti IV may be one of the useful candidates for many important studies. Most of the results reported here are not available in the literature, to the best of our knowledge.Comment: 15 pages submitted to J. Phys.

First-principles study of possible shallow donors in ZnAl2O4 spinel

ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (Zn-Al) and Al at the Zn site (Al-Zn). The antisite defect Al-Zn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping

Optimal Multi-Modes Switching Problem in Infinite Horizon

This paper studies the problem of the deterministic version of the Verification Theorem for the optimal m-states switching in infinite horizon under Markovian framework with arbitrary switching cost functions. The problem is formulated as an extended impulse control problem and solved by means of probabilistic tools such as the Snell envelop of processes and reflected backward stochastic differential equations. A viscosity solutions approach is employed to carry out a finne analysis on the associated system of m variational inequalities with inter-connected obstacles. We show that the vector of value functions of the optimal problem is the unique viscosity solution to the system. This problem is in relation with the valuation of firms in a financial market