Parameterization of Asymmetric Lineshapes in Photoelectron Spectroscopy
Faculty Mentor Name
Anthony Dutoi
Research or Creativity Area
Natural Sciences
Abstract
Photoelectron Spectroscopy (PES) is an experimental technique that creates a spectrum with ionization energies on one axis, and number of electrons on the other axis. It is used for determining electron configuration of atoms, interactions between the electrons and nucleus, and ionization energy for electrons in atoms. We are interested in the broadening of peaks that take on the form of the asymmetric Lorentzian lineshape. A library of lineshapes was built based on an equation analogous to the Lorentzian equation to further figure out the relationship between the parameters and lineshape. The influence of each governing parameter can be analyzed through looking at the peaks present in the lineshape. The use of coding in python has been an ideal method as when figuring out the parameters algebraically it has been difficult. Furthermore, the continuation of building the library of lineshapes will allow us to look at the reasoning behind the energy leaks that cause the Lorentzian lineshape.
Parameterization of Asymmetric Lineshapes in Photoelectron Spectroscopy
Photoelectron Spectroscopy (PES) is an experimental technique that creates a spectrum with ionization energies on one axis, and number of electrons on the other axis. It is used for determining electron configuration of atoms, interactions between the electrons and nucleus, and ionization energy for electrons in atoms. We are interested in the broadening of peaks that take on the form of the asymmetric Lorentzian lineshape. A library of lineshapes was built based on an equation analogous to the Lorentzian equation to further figure out the relationship between the parameters and lineshape. The influence of each governing parameter can be analyzed through looking at the peaks present in the lineshape. The use of coding in python has been an ideal method as when figuring out the parameters algebraically it has been difficult. Furthermore, the continuation of building the library of lineshapes will allow us to look at the reasoning behind the energy leaks that cause the Lorentzian lineshape.
