Effects of Strain on the Half-Metallic and Elastic Properties of FeCrTe and CoCrSi with Clb Structure

Abstract

The effects of strain on the half-metallic (HM) and elastic properties of FeCrTe and CoCrSi alloys with Clb structure were calculated using a first-principles calculation. Both compounds showed (HM) property with full spin polarization, and this property can be present when their lattice constants are in the range from 5.18 Å to 5.71 Å for CoCrSi, and 5.25 Å to 6.05 Å for FeCrTe. The calculations of elastic properties show that both compounds are mechanically stable, ductile and hard with varied properties. In addition, calculations of the elastic characteristics for the above ranges for both FeCrTe and CoCrSi alloys showed mechanical stability, therefore, the FeCrTe and CoCrSi alloys are likely to be composed in experimental applications.