Chemical Physics Letters, Vol.689, 41-47, 2017
The effects of strain on the ordered phases of NixPt1-x (x=0.25, 0.5, and 0.75)
The effects of strain on the ordered L1(0) and L1(2) phases of PtxNi1-x (x = 0.25, 0.5, and 0.75) have been investigated using both scalar and vector relativistic density functional theory (DFT). The spin orbit correction (SOC) orders the local magnetic moment vector along Gamma R (Gamma A) diagonal of the L1(2) (L1(0)) phases. Applying tensile (compressive) strain to each phase causes the local magnetic moment of the crystal to increase (decrease). The SOC component of the local magnetic moment is independent of the stress applied to the crystal. (C) 2017 Elsevier B.V. All rights reserved.