Innershell ionization of a $1s$ electron by either photons or electrons is important for X-ray photoionized objects such as active galactic nuclei and electron-ionized sources such as supernova remnants. Modeling and interpreting observations of such
objects requires accurate predictions for the charge state distribution (CSD) which results as the $1s$-hole system stabilizes. Due to the complexity of the complete stabilization process, few modern calculations exist and the community currently relies on 40-year-old atomic data. Here, we present a combined experimental and theoretical study for innershell photoionization of neutral atomic nitrogen for photon energies of $403-475$~eV. Results are reported for the total ion yield cross section, for the branching ratios for formation of N$^+$, N$^{2+}$, and N$^{3+}$, and for the average charge state. We find significant differences when comparing to the data currently available to the astrophysics community. For example, while the branching ratio to N$^{2+}$ is somewhat reduced, that for N$^+$ is greatly increased, and that to N$^{3+}$, which was predicted not to be zero, grows to $approx 10%$ at the higher photon energies studied. This work demonstrates some of the shortcomings in the theoretical CSD data base for innershell ionization and points the way for the improvements needed to more reliably model the role of innershell ionization of cosmic plasmas.
Electron-impact direct double ionization (DDI) process is studied as a sequence of two and three step processes. Contribution from ionization-ionization, ionization-excitation-ionization, and excitation-ionization-ionization processes is taken into a
ccount. The present results help to resolve the long-standing discrepancies; in particular, a good agreement with experimental measurements is obtained for double ionization cross-sections of $O^{1+}$, $O^{2+}$, $O^{3+}$, $C^{1+}$, and $Ar^{2+}$ ions. We show that distribution of the energy of scattered and ejected electrons, which participate in the next step of ionization, strongly affects DDI cross-sections.
We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations. At first,
we focus our attention on the accuracy of calculated lattice constants in order to find out DFT approaches that best represent the crystalline structure of SrRuO$_3$, since many important physical quantities crucially depend on change in volume. Next, we evaluate single-crystal elastic constants, mechanical stability, and macroscopic elastic parameters trying to at least partially compensate for the existing lack of information about these fundamental features of SrRuO$_3$. Finally, we analyze the anomalous behavior of low-temperature orthorhombic phase under $C_{44}$ related shear deformation. It turns out that at critical strain values the system exhibits a distinct deviation from the initial behavior which results in an isosymmetric phase transition. Moreover, under $C_{44}$ related shear deformation tetragonal SrRuO3 becomes mechanically unstable raising an open question of what makes it experimentally observable at high temperatures.
