1301.2389 (Dongyan Zhang et al.)

Role of Electronic Structure in the Morphotropic Phase Boundary of
TbxDy1-xCo2 Studied by First-principles Calculation    [PDF]

Dongyan Zhang, Sen Yang, Pangpang Wang, Yu Wang, Jieqiong Wang, Xiaoping Song

Physically parallel to ferroelectric morphotropic phase boundary, a phase boundary separating two ferromagnetic phase of different crystallographic symmetries was found in TbxDy1-xCo2. High-resolution synchrotron XRD has been carried out to offer experimental evidence for TbxDy1-xCo2. It has been proved that TbxDy1-xCo2 (0.60.7) phase is distorted from a Laves Phase. Here, a first principles calculation provides a theoretical explanation on the origin of MBP in TbxDy1-xCo2 and is also provided for the question of why MPB occurs in TbxDy1-xCo2 alloys.

View original: http://arxiv.org/abs/1301.2389