Pankaj Verma

Electron induced inelastic and ionization cross section for plasma modeling

The present paper reports electron impact total inelastic and ionization cross section for silicon, germanium, and tin tetrahalides at energies varying from ionization threshold of the target to 5000 eV. These cross section data over a wide energy domain are very essential to understand the physico-chemical processes involved in various environments such as plasma modeling, semiconductor etching, atmospheric sciences, biological sciences, and radiation physics. However, the cross section data on the above mentioned molecules are scarce. In the present article, we report the computation of total inelastic cross section using spherical complex optical potential formalism and the estimation of ionization cross section through a semi-empirical method. The present ionization cross section result obtained for SiCl4 shows excellent agreement with previous measurements, while other molecules have not yet been investigated experimentally. Present results show more consistent behaviour than previous theoretical est...

Electron-silane scattering cross section for plasma assisted processes

Silane is an important molecule with numerous applications to natural and technological plasmas. In such environments, where plasma assisted processes are vital, electron induced reactions play a major role in its chemistry. In view of this, electron induced scattering of molecules such as silane finds significance. This article reports a comprehensive study of electron impact cross sections for silane over a wide energy range. In particular, the emphasis is given in providing a complete dataset for various electron scattering events possible with silane. Such dataset is the need for the plasma modeling community. Moreover, literature survey shows that the cross section database for silane is fragmentary. To fill this void, we have computed the differential elastic, total, rotational excitation, and momentum transfer cross sections. Two formalisms that are reliable in their energy domain are employed to accomplish the task: the R-matrix method through QUANTEMOL-N at low incident energies and the spherical...

Electron impact ionisation cross sections derived from total inelastic cross section for CF3X and CF2X2 (X = H, Cl, Br and I) molecules

ABSTRACT We report here the total ionisation cross sections for CF3X and CF2X2 (X = H, Cl, Br and I) molecules by electron impact from ionisation threshold to 5 keV. The total inelastic cross section is obtained employing a quantum mechanical approach called spherical complex optical potential formalism. Then, using a semi-empirical complex scattering potential-ionisation contribution method, the ionisation cross section is derived from the inelastic cross section. The results obtained are compared with previous measurements and theoretical values, wherever available and a satisfactorily agreement is observed. The ionisation cross section values for CF2I2 molecule are reported for the first time.

Electron-induced scattering dynamics of Boron, Aluminium and Gallium trihalides in the intermediate energy domain

ABSTRACT This article is focused on the calculation of electron-induced ionisation and total scattering cross sections by Boron, Aluminium and Gallium trihalide molecules in the intermediate energy domain. The computational formalism, spherical complex optical potential has been employed for the study of these two scattering cross sections. The ionisation cross section has been derived from the inelastic cross section using a semi-empirical method called complex scattering potential-ionisation contribution (CSP-ic) method. We have also calculated the ionisation cross section using the BEB theory with Hartree–Fock and density functional theory (DFT- ωB97XD) orbitals so that a comparison can be made with the cross sections predicted by CSP-ic method. For this theoretical study, we have also calculated polarisability and bond length of some targets which were not found in literature using DFT/B3LYP in Gaussian 09 software.

Electron scattering by Silane

The total electron scattering cross sections for SiH4 molecule are important for understanding the behaviour of mono-silane plasma and for the deposition of hydrogenated amorphous silicone films [1,2]. Moreover, the scattering of electron by silane is an important process in low-temperature plasmas used for semiconductor processing and fabrication [3], space science, radiation physics and in the study of fundamental chemistry.