Plasma Diagnostics Using K‐Line Emission Profiles of Silicon

Modifications of K‐line profiles due to a warm dense plasma environment are a suitable tool for plasma diagnostics. We focus on Si K_α emissions due to an electron transfer from 2P to 1S shell. Besides 2P fine structure effects we also consider the influence of excited and higher ionized emitters. Generally spoken, a plasma of medium temperature and high density (warm dense matter) is created from bulk Si the greater part of atoms is ionized. The high energy of K_α x‐rays is necessary to penetrate and investigate the Si sample. The plasma effect influences the many‐particle system resulting in an energy shift due to electron‐ion and electron‐electron interaction. In our work we focus on pure Si using LS coupling. Non‐perturbative wave functions are calculated as well as ionization energies, binding energies and relevant emission energies using the chemical ab initio code Gaussian 03. The plasma effect is considered within a perturbative approach to the Hamiltonian. Using Roothaan‐Hartree‐Fock wave functions we calculate the screening effect within an ion‐sphere model. The different excitation and ionization probabilities of the electronic L‐shell and M‐shell lead to a charge state distribution. Using this distribution and a Lorentz profile convolution with a Gaussian instrument function we calculate spectral line profiles depending on the plasma parameters. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)