Paper Title:
Structure Stability and Magnetic Properties of Ni2XGa (X = Mn, Fe, Co) Ferromagnetic Shape Memory Alloys by DFT Approach
  Abstract

In this paper, we report some ab initio calculation results of three perfect stoichiometric alloy systems Ni2XGa (X = Mn, Fe, Co). The calculations have been performed on optimizing the crystal structures in both austenitic and martensitic phases, the electronic density of states (DOS), the magnetic properties and the difference of charge distributions on considering that Mn, Fe, Co are adjacent to each other within one period in the periodic table of elements, and they are all ferro-magnetic. We have shown the impact of these magnetic elements on several properties of each alloy. Study on these three Heusler alloy systems is important in view of property prediction.

  Info
Periodical
Solid State Phenomena (Volume 160)
Edited by
H. Klein and R.A. Schwarzer
Pages
69-74
DOI
10.4028/www.scientific.net/SSP.160.69
Citation
J. Bai, J. M. Raulot, C. Esling, X. Zhao, L. Zuo, "Structure Stability and Magnetic Properties of Ni2XGa (X = Mn, Fe, Co) Ferromagnetic Shape Memory Alloys by DFT Approach", Solid State Phenomena, Vol. 160, pp. 69-74, 2010
Online since
February 2010
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