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arXiv · 1301.2389

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

Dongyan Zhang·Sen Yang·Pangpang Wang·Yu Wang·Jieqiong Wang·Xiaoping Song
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Abstract

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 (0.6 0.7) 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.

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Dongyan Zhang, Sen Yang, Pangpang Wang, Yu Wang, Jieqiong Wang, Xiaoping Song. 2013-04-25. Role of Electronic Structure in the Morphotropic Phase Boundary of TbxDy1-xCo2 Studied by First-principles Calculation. https://arxiv.org/abs/1301.2389

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