Electron Localizations in Alloy Exhibiting Nanotwinning

Abstract

In present work we have used firstprinciples calculations based on density functional theory (DFT) to simulate magneto-optical (MO) Kerr spectra for different phases of Ni2MnGa alloy: austenite, nonmodulated martensite without nanotwinning and nanotwined martensite represented by 4O structure. The MO spectra provide a valuable insight into the mutual dependence of the the structure of the material and electronic structure and magnetic ordering.