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.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.