Electronic and crystal structure of the high entropy TiZrHfCoNiCu intermetallics undergoing martensitic transformation

Abstract

It was shown very recently that despite high thermal stability some high entropy alloys, namely, intermetallic compounds of TiZrHfCoNiCu family, undergo martensitic transformation and exhibit shape memory effect [1]. It was also found that X-ray diffraction patterns taken from those compounds resemble qualitatively ones of B2 ordering type for austenitic state and B19` - for martensite. It is going to be shown [2] that the ordered structure of austenite phase is not B2 but is a result of group-subgroup transition down to triclinic P1 space group. Present paper reports onto the results of electron structure modelling combined with crystal structure analysis with the help of experimental data Rietveld refinement performed for TiZrHfCoNiCu intermetallics. Crystal structures of austenite and martensite phases for these high entropy intermetallics will be discussed.