Ordering induced transformation from high-entropy to Heusler CrVTiAl alloy

Publication date: Available online 5 September 2019Source: Physics Letters AAuthor(s): Peiyu Cao, Hanyue Zhao, Shanshan Liu, Fuyang Tian, Yandong WangAbstractThe equimolar quaternary CrVTiAl is not only a potential spin filter, but also a light-weight high entropy alloy. The excellent performance strongly depends on the order degree. We use the ab initio calculation to investigate the structural, magnetic, elastic properties of CrVTiAl as a function of the order degree describing phase from full disorder A2 to DO3, B2, and L21 to full order Y-type (LiMgPdSn-type) structure. The Cr-Al bonding plays a key role in the local magnetic moments, further induces the increasing lattice parameter and decreasing elastic constants. Furthermore, the effect of preferred sites on mechanical properties is discussed.

Source: Physics Letters A - September 6, 2019 Category: Physics Source Type: research