Changes in the surface electronic structure upon martensitic transformation in TiNi and TiPd

TL;DR

This study investigates how the surface electronic structure of TiNi and TiPd changes during martensitic transformation, finding minimal alterations near the Fermi level and discussing oxide layer effects.

Contribution

It provides a detailed computational analysis of surface electronic structure changes during martensitic transformation in TiNi and TiPd, highlighting the minimal impact on electronic properties.

Findings

Minimal electronic structure changes near Fermi level during transformation

Oxide layer formation has insignificant influence on surface electronic properties

Surface electronic structure remains similar to bulk ground state after transformation

Abstract

The electronic structure of some low index surfaces for martensitic B19'-TiNi and B19-TiPd were investigated using the full-potential linearized augmented plane wave method. The alteration of the electronic structure upon martensitic transformation on the surface were analyzed. According to the surface calculations only insignificant changes in the electronic structure near the Fermi level were found as for bulk ground state. The formation of oxides top layers is also discussed. It is shown that the influence of TiNi substrate is insignificant when three oxides layers are formed.